CID 57093534

Benzyl n-[(1r,3s)-3-aminocyclopentyl]carbamate oxalate

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1C[C@H](C[C@H]1N)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c14-11-6-7-12(8-11)15-13(16)17-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,14H2,(H,15,16)/t11-,12+/m0/s1
InChIKey
ZMHVOVQAUQAVMY-NWDGAFQWSA-N
Compound name
benzyl N-[(1R,3S)-3-aminocyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

234.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 153.3
[M+Na]+ 257.12605 157.3
[M-H]- 233.12955 158.9
[M+NH4]+ 252.17065 171.6
[M+K]+ 273.09999 154.8
[M+H-H2O]+ 217.13409 145.8
[M+HCOO]- 279.13503 177.0
[M+CH3COO]- 293.15068 192.8
[M+Na-2H]- 255.11150 155.4
[M]+ 234.13628 149.2
[M]- 234.13738 149.2
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