CID 115071666

4-(1-{[(tert-butoxy)carbonyl]amino}cyclopropyl)butanoic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CC1)CCCC(=O)O
InChI
InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(7-8-12)6-4-5-9(14)15/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
ALGCXOLYFVABGH-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 155.8
[M+Na]+ 266.136278 162.6
[M-H]- 242.139784 158.8
[M+NH4]+ 261.180883 169.7
[M+K]+ 282.110218 161.0
[M+H-H2O]+ 226.144320 151.7
[M+HCOO]- 288.145261 175.1
[M+CH3COO]- 302.160911 194.5
[M+Na-2H]- 264.121726 160.1
[M]+ 243.14651142 161.0
[M]- 243.14760858 161.0
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.