CID 10944908

Benzyl (5-(hydroxyamino)pentyl)carbamate

Structural Information

Molecular Formula
C13H20N2O3
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCNO
InChI
InChI=1S/C13H20N2O3/c16-13(14-9-5-2-6-10-15-17)18-11-12-7-3-1-4-8-12/h1,3-4,7-8,15,17H,2,5-6,9-11H2,(H,14,16)
InChIKey
UXHPFRUOTVYCCQ-UHFFFAOYSA-N
Compound name
benzyl N-[5-(hydroxyamino)pentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 158.4
[M+Na]+ 275.136618 161.8
[M-H]- 251.140124 159.7
[M+NH4]+ 270.181223 173.8
[M+K]+ 291.110558 159.4
[M+H-H2O]+ 235.144660 150.8
[M+HCOO]- 297.145601 182.0
[M+CH3COO]- 311.161251 195.6
[M+Na-2H]- 273.122066 163.4
[M]+ 252.14685142 159.1
[M]- 252.14794858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe