CID 3435099

2-{[(tert-butoxy)carbonyl]amino}-3-cyclopentylpropanoic acid

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)NC(CC1CCCC1)C(=O)O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)8-9-6-4-5-7-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
GBTWGGHVJJRREA-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

257.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 163.0
[M+Na]+ 280.15194 165.4
[M-H]- 256.15544 164.1
[M+NH4]+ 275.19654 180.2
[M+K]+ 296.12588 165.1
[M+H-H2O]+ 240.15998 157.5
[M+HCOO]- 302.16092 180.2
[M+CH3COO]- 316.17657 193.9
[M+Na-2H]- 278.13739 162.2
[M]+ 257.16217 161.2
[M]- 257.16327 161.2
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