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 160.2
[M+Na]+ 280.15194 164.4
[M+NH4]+ 275.19654 164.8
[M+K]+ 296.12588 165.0
[M-H]- 256.15544 157.4
[M+Na-2H]- 278.13739 160.5
[M]+ 257.16217 159.4
[M]- 257.16327 159.4
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.