CID 1512526

(1r,3s)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m1/s1
InChIKey
RNJQBGXOSAQQDG-SFYZADRCSA-N
Compound name
(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

938
Patents

229.13141 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 153.1
[M+Na]+ 252.12063 157.5
[M-H]- 228.12413 154.8
[M+NH4]+ 247.16523 171.9
[M+K]+ 268.09457 157.1
[M+H-H2O]+ 212.12867 148.1
[M+HCOO]- 274.12961 172.0
[M+CH3COO]- 288.14526 188.2
[M+Na-2H]- 250.10608 154.0
[M]+ 229.13086 151.6
[M]- 229.13196 151.6
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