CID 12315638

31037-42-0

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

230
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 138.2
[M+Na]+ 204.06312 148.7
[M+NH4]+ 199.10772 145.5
[M+K]+ 220.03706 143.5
[M-H]- 180.06662 139.3
[M+Na-2H]- 202.04857 144.1
[M]+ 181.07335 139.7
[M]- 181.07445 139.7
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