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 153.7
[M+Na]+ 252.12063 162.3
[M+NH4]+ 247.16523 160.9
[M+K]+ 268.09457 159.7
[M-H]- 228.12413 159.0
[M+Na-2H]- 250.10608 159.3
[M]+ 229.13086 157.3
[M]- 229.13196 157.3
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