CID 145867288

2361742-52-9

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC1CC1C2CC2C(=O)O
InChI
InChI=1S/C12H19NO4/c1-12(2,3)17-11(16)13-9-5-7(9)6-4-8(6)10(14)15/h6-9H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
VDTBHTNKILIDCU-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 157.2
[M+Na]+ 264.12063 163.7
[M-H]- 240.12413 163.4
[M+NH4]+ 259.16523 163.5
[M+K]+ 280.09457 161.0
[M+H-H2O]+ 224.12867 152.5
[M+HCOO]- 286.12961 174.2
[M+CH3COO]- 300.14526 203.9
[M+Na-2H]- 262.10608 157.9
[M]+ 241.13086 162.6
[M]- 241.13196 162.6
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.