CID 65283

Isopropylsulfamic acid

Structural Information

Molecular Formula
C3H9NO3S
SMILES
CC(C)NS(=O)(=O)O
InChI
InChI=1S/C3H9NO3S/c1-3(2)4-8(5,6)7/h3-4H,1-2H3,(H,5,6,7)
InChIKey
JWQSOOZHYMZRBT-UHFFFAOYSA-N
Compound name
propan-2-ylsulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

739
Patents

139.03032 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03760 124.8
[M+Na]+ 162.01954 132.3
[M-H]- 138.02304 124.3
[M+NH4]+ 157.06414 145.8
[M+K]+ 177.99348 131.5
[M+H-H2O]+ 122.02758 120.4
[M+HCOO]- 184.02852 141.9
[M+CH3COO]- 198.04417 169.5
[M+Na-2H]- 160.00499 129.2
[M]+ 139.02977 125.9
[M]- 139.03087 125.9
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