CID 12914626

Methyl sulfamate

Structural Information

Molecular Formula
CH5NO3S
SMILES
COS(=O)(=O)N
InChI
InChI=1S/CH5NO3S/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
InChIKey
FIYXUOWXHWJDAM-UHFFFAOYSA-N
Compound name
methyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1224
Patents

110.999016 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.006292 115.6
[M+Na]+ 133.988234 124.6
[M-H]- 109.991740 116.3
[M+NH4]+ 129.032839 138.2
[M+K]+ 149.962174 124.4
[M+H-H2O]+ 93.996276 111.3
[M+HCOO]- 155.997217 135.2
[M+CH3COO]- 170.012867 164.5
[M+Na-2H]- 131.973682 121.4
[M]+ 110.99846742 117.5
[M]- 110.99956458 117.5
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