CID 59533268

159700-60-4

Structural Information

Molecular Formula
C11H19NO4
SMILES
CCC1C[C@@]1(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)/t7?,11-/m1/s1
InChIKey
QUJJZDFGKLKCJR-PLNQYNMKSA-N
Compound name
(1R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

229.13141 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 150.5
[M+Na]+ 252.12063 158.5
[M-H]- 228.12413 154.1
[M+NH4]+ 247.16523 165.2
[M+K]+ 268.09457 157.2
[M+H-H2O]+ 212.12867 146.9
[M+HCOO]- 274.12961 170.0
[M+CH3COO]- 288.14526 192.9
[M+Na-2H]- 250.10608 154.8
[M]+ 229.13086 155.7
[M]- 229.13196 155.7
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

patents stripe