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]+ 244.154336 156.1
[M+Na]+ 266.136278 161.0
[M-H]- 242.139784 158.0
[M+NH4]+ 261.180883 176.4
[M+K]+ 282.110218 160.7
[M+H-H2O]+ 226.144320 152.3
[M+HCOO]- 288.145261 174.7
[M+CH3COO]- 302.160911 190.7
[M+Na-2H]- 264.121726 158.1
[M]+ 243.14651142 155.4
[M]- 243.14760858 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.