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

148
Patents

236.15248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.1
[M+Na]+ 259.14170 160.1
[M-H]- 235.14520 158.3
[M+NH4]+ 254.18630 172.8
[M+K]+ 275.11564 157.7
[M+H-H2O]+ 219.14974 148.6
[M+HCOO]- 281.15068 180.5
[M+CH3COO]- 295.16633 195.3
[M+Na-2H]- 257.12715 160.5
[M]+ 236.15193 156.3
[M]- 236.15303 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