CID 18907

Benzyl n-hydroxycarbamate

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC=C(C=C1)COC(=O)NO
InChI
InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKey
PQBSPTAPCMSZAA-UHFFFAOYSA-N
Compound name
benzyl N-hydroxycarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

315
Patents

167.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 132.7
[M+Na]+ 190.047458 139.3
[M-H]- 166.050964 135.1
[M+NH4]+ 185.092063 152.1
[M+K]+ 206.021398 138.1
[M+H-H2O]+ 150.055500 126.7
[M+HCOO]- 212.056441 157.1
[M+CH3COO]- 226.072091 175.2
[M+Na-2H]- 188.032906 140.0
[M]+ 167.05769142 132.4
[M]- 167.05878858 132.4
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