CID 2794259

Benzyl n-(5-aminopentyl)carbamate

Structural Information

Molecular Formula
C13H20N2O2
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCN
InChI
InChI=1S/C13H20N2O2/c14-9-5-2-6-10-15-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16)
InChIKey
ZZRXQSABHQZWCC-UHFFFAOYSA-N
Compound name
benzyl N-(5-aminopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

236.15248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.1
[M+Na]+ 259.141698 160.1
[M-H]- 235.145204 158.3
[M+NH4]+ 254.186303 172.8
[M+K]+ 275.115638 157.7
[M+H-H2O]+ 219.149740 148.6
[M+HCOO]- 281.150681 180.5
[M+CH3COO]- 295.166331 195.3
[M+Na-2H]- 257.127146 160.5
[M]+ 236.15193142 156.3
[M]- 236.15302858 156.3
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