CID 57253223

15058-52-3

Structural Information

Molecular Formula
C9H11NO3
SMILES
CN(C(=O)OCC1=CC=CC=C1)O
InChI
InChI=1S/C9H11NO3/c1-10(12)9(11)13-7-8-5-3-2-4-6-8/h2-6,12H,7H2,1H3
InChIKey
ZXDUNEUTUIGNMC-UHFFFAOYSA-N
Compound name
benzyl N-hydroxy-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

181.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.3
[M+Na]+ 204.06312 143.6
[M-H]- 180.06662 141.0
[M+NH4]+ 199.10772 156.8
[M+K]+ 220.03706 143.7
[M+H-H2O]+ 164.07116 131.0
[M+HCOO]- 226.07210 161.9
[M+CH3COO]- 240.08775 181.7
[M+Na-2H]- 202.04857 143.3
[M]+ 181.07335 138.7
[M]- 181.07445 138.7
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