CID 78628

Methyl dimethylolcarbamate

Structural Information

Molecular Formula
C4H9NO4
SMILES
COC(=O)N(CO)CO
InChI
InChI=1S/C4H9NO4/c1-9-4(8)5(2-6)3-7/h6-7H,2-3H2,1H3
InChIKey
SXVDZIOMWSPFCO-UHFFFAOYSA-N
Compound name
methyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

213
Patents

135.05316 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.060436 125.4
[M+Na]+ 158.042378 132.0
[M-H]- 134.045884 124.7
[M+NH4]+ 153.086983 146.2
[M+K]+ 174.016318 133.5
[M+H-H2O]+ 118.050420 120.6
[M+HCOO]- 180.051361 148.5
[M+CH3COO]- 194.067011 170.8
[M+Na-2H]- 156.027826 130.6
[M]+ 135.05261142 126.8
[M]- 135.05370858 126.8
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