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

231
Patents

181.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.3
[M+Na]+ 204.06312 143.4
[M-H]- 180.06662 139.5
[M+NH4]+ 199.10772 156.1
[M+K]+ 220.03706 142.0
[M+H-H2O]+ 164.07116 131.1
[M+HCOO]- 226.07210 161.3
[M+CH3COO]- 240.08775 178.3
[M+Na-2H]- 202.04857 144.1
[M]+ 181.07335 137.4
[M]- 181.07445 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