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

215
Patents

243.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 158.4
[M+Na]+ 266.13628 161.2
[M-H]- 242.13978 159.7
[M+NH4]+ 261.18088 176.2
[M+K]+ 282.11022 161.1
[M+H-H2O]+ 226.14432 153.0
[M+HCOO]- 288.14526 175.9
[M+CH3COO]- 302.16091 190.9
[M+Na-2H]- 264.12173 158.1
[M]+ 243.14651 156.2
[M]- 243.14761 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