CID 27244

N-hydroxymethylcarbaryl

Structural Information

Molecular Formula
C13H13NO3
SMILES
CN(CO)C(=O)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H13NO3/c1-14(9-15)13(16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-8,15H,9H2,1H3
InChIKey
ZQTYLOKPCPIWAU-UHFFFAOYSA-N
Compound name
naphthalen-1-yl N-(hydroxymethyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.08954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 149.7
[M+Na]+ 254.07876 162.0
[M+NH4]+ 249.12336 157.9
[M+K]+ 270.05270 156.1
[M-H]- 230.08226 152.4
[M+Na-2H]- 252.06421 156.3
[M]+ 231.08899 152.1
[M]- 231.09009 152.1
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

No patent data available for this compound.