CID 153884735

1824232-94-1

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)NC(C)(C1CCCC1)C(=O)O
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-13(4,10(15)16)9-7-5-6-8-9/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKey
RFPBGVMVYMXZFM-UHFFFAOYSA-N
Compound name
2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 161.3
[M+Na]+ 280.15194 164.3
[M-H]- 256.15544 162.6
[M+NH4]+ 275.19654 178.7
[M+K]+ 296.12588 164.1
[M+H-H2O]+ 240.15998 156.5
[M+HCOO]- 302.16092 178.0
[M+CH3COO]- 316.17657 193.4
[M+Na-2H]- 278.13739 163.1
[M]+ 257.16217 159.7
[M]- 257.16327 159.7
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