CID 44946

Dimethylcarbamic acid

Structural Information

Molecular Formula
C3H7NO2
SMILES
CN(C)C(=O)O
InChI
InChI=1S/C3H7NO2/c1-4(2)3(5)6/h1-2H3,(H,5,6)
InChIKey
DWLVWMUCHSLGSU-UHFFFAOYSA-N
Compound name
dimethylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

9600
Patents

89.047676 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.054952 114.5
[M+Na]+ 112.03689 122.0
[M-H]- 88.040400 115.5
[M+NH4]+ 107.08150 137.9
[M+K]+ 128.01083 123.8
[M+H-H2O]+ 72.044936 110.2
[M+HCOO]- 134.04588 139.0
[M+CH3COO]- 148.06153 166.9
[M+Na-2H]- 110.02234 120.8
[M]+ 89.047127 114.6
[M]- 89.048225 114.6
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