CID 12315638

Benzyl n-(hydroxymethyl)carbamate

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1=CC=C(C=C1)COC(=O)NCO
InChI
InChI=1S/C9H11NO3/c11-7-10-9(12)13-6-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
InChIKey
RWFPWQCNFWWIAE-UHFFFAOYSA-N
Compound name
benzyl N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

181.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.3
[M+Na]+ 204.063118 143.4
[M-H]- 180.066624 139.5
[M+NH4]+ 199.107723 156.1
[M+K]+ 220.037058 142.0
[M+H-H2O]+ 164.071160 131.1
[M+HCOO]- 226.072101 161.3
[M+CH3COO]- 240.087751 178.3
[M+Na-2H]- 202.048566 144.1
[M]+ 181.07335142 137.4
[M]- 181.07444858 137.4
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