CID 7020746

(2s)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopentylacetic acid

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](C1CCCC1)C(=O)O
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9(10(14)15)8-6-4-5-7-8/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
InChIKey
WBSJQVRMQOLSAT-VIFPVBQESA-N
Compound name
(2S)-2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

243.14706 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

patents stripe