CID 165889375

4-{[(tert-butoxy)carbonyl]amino}-3-cyclopropylbutanoic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NCC(CC(=O)O)C1CC1
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-9(6-10(14)15)8-4-5-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
AXOBDIDZUDGKBN-UHFFFAOYSA-N
Compound name
3-cyclopropyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.9
[M+Na]+ 266.13628 164.2
[M+NH4]+ 261.18088 162.3
[M+K]+ 282.11022 163.6
[M-H]- 242.13978 161.6
[M+Na-2H]- 264.12173 160.4
[M]+ 243.14651 159.9
[M]- 243.14761 159.9
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.