CID 23595129

572924-00-6

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)OC1CCCC1
InChI
InChI=1S/C12H21NO4/c1-12(2,3)9(10(14)15)13-11(16)17-8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKey
VKOXJCPQUQBCAJ-SECBINFHSA-N
Compound name
(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

243.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 158.4
[M+Na]+ 266.136278 161.2
[M-H]- 242.139784 159.7
[M+NH4]+ 261.180883 176.2
[M+K]+ 282.110218 161.1
[M+H-H2O]+ 226.144320 153.0
[M+HCOO]- 288.145261 175.9
[M+CH3COO]- 302.160911 190.9
[M+Na-2H]- 264.121726 158.1
[M]+ 243.14651142 156.2
[M]- 243.14760858 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe