CID 139022503

Rac-(1r,2r)-2-(1-{[(tert-butoxy)carbonyl]amino}ethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC([C@@H]1C[C@H]1C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-6(7-5-8(7)9(13)14)12-10(15)16-11(2,3)4/h6-8H,5H2,1-4H3,(H,12,15)(H,13,14)/t6?,7-,8+/m0/s1
InChIKey
ITPSRQWNZXVSNJ-ZHFSPANRSA-N
Compound name
(1R,2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 149.6
[M+Na]+ 252.12063 156.7
[M-H]- 228.12413 152.9
[M+NH4]+ 247.16523 162.3
[M+K]+ 268.09457 154.8
[M+H-H2O]+ 212.12867 144.4
[M+HCOO]- 274.12961 168.6
[M+CH3COO]- 288.14526 194.2
[M+Na-2H]- 250.10608 151.4
[M]+ 229.13086 153.7
[M]- 229.13196 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.