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

20
Patents

234.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 153.3
[M+Na]+ 257.126048 157.3
[M-H]- 233.129554 158.9
[M+NH4]+ 252.170653 171.6
[M+K]+ 273.099988 154.8
[M+H-H2O]+ 217.134090 145.8
[M+HCOO]- 279.135031 177.0
[M+CH3COO]- 293.150681 192.8
[M+Na-2H]- 255.111496 155.4
[M]+ 234.13628142 149.2
[M]- 234.13737858 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