CID 84909

Methyl (hydroxymethyl)-carbamate

Structural Information

Molecular Formula
C3H7NO3
SMILES
COC(=O)NCO
InChI
InChI=1S/C3H7NO3/c1-7-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)
InChIKey
QLIOROOVARTAMQ-UHFFFAOYSA-N
Compound name
methyl N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

105.042595 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.04987 117.8
[M+Na]+ 128.03181 125.2
[M-H]- 104.03532 117.3
[M+NH4]+ 123.07642 140.0
[M+K]+ 144.00575 126.0
[M+H-H2O]+ 88.039855 113.4
[M+HCOO]- 150.04080 142.1
[M+CH3COO]- 164.05645 164.7
[M+Na-2H]- 126.01726 124.9
[M]+ 105.04205 118.1
[M]- 105.04314 118.1
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