CID 159058

Sulfamic acid, (5-methyl-3-isoxazolyl)-

Structural Information

Molecular Formula
C4H6N2O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)O
InChI
InChI=1S/C4H6N2O4S/c1-3-2-4(5-10-3)6-11(7,8)9/h2H,1H3,(H,5,6)(H,7,8,9)
InChIKey
KNTQVJFFCNAOFY-UHFFFAOYSA-N
Compound name
(5-methyl-1,2-oxazol-3-yl)sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

178.00482 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.012096 131.5
[M+Na]+ 200.994038 141.4
[M-H]- 176.997544 134.2
[M+NH4]+ 196.038643 150.4
[M+K]+ 216.967978 140.8
[M+H-H2O]+ 161.002080 126.3
[M+HCOO]- 223.003021 150.2
[M+CH3COO]- 237.018671 173.2
[M+Na-2H]- 198.979486 137.6
[M]+ 178.00427142 135.0
[M]- 178.00536858 135.0
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