CID 65045303

1-((tert-butoxycarbonyl)amino)-2-methylcyclopentanecarboxylic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC1CCCC1(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4/c1-8-6-5-7-12(8,9(14)15)13-10(16)17-11(2,3)4/h8H,5-7H2,1-4H3,(H,13,16)(H,14,15)
InChIKey
IDFDGFSMIICWGS-UHFFFAOYSA-N
Compound name
2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 156.1
[M+Na]+ 266.13628 161.0
[M-H]- 242.13978 158.0
[M+NH4]+ 261.18088 176.4
[M+K]+ 282.11022 160.7
[M+H-H2O]+ 226.14432 152.3
[M+HCOO]- 288.14526 174.7
[M+CH3COO]- 302.16091 190.7
[M+Na-2H]- 264.12173 158.1
[M]+ 243.14651 155.4
[M]- 243.14761 155.4
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.