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
2
Annotation Hits

0
References

138
Patents

135.05316 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.06044 125.4
[M+Na]+ 158.04238 132.0
[M-H]- 134.04588 124.7
[M+NH4]+ 153.08698 146.2
[M+K]+ 174.01632 133.5
[M+H-H2O]+ 118.05042 120.6
[M+HCOO]- 180.05136 148.5
[M+CH3COO]- 194.06701 170.8
[M+Na-2H]- 156.02783 130.6
[M]+ 135.05261 126.8
[M]- 135.05371 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