CID 57446194

2098851-56-8

Structural Information

Molecular Formula
C5H12NO2S
SMILES
C[N+]1(CCCC1)S(=O)O
InChI
InChI=1S/C5H11NO2S/c1-6(9(7)8)4-2-3-5-6/h2-5H2,1H3/p+1
InChIKey
NOBDUAZLEGTRRZ-UHFFFAOYSA-O
Compound name
1-methylpyrrolidin-1-ium-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

150.05887 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06615 125.8
[M+Na]+ 173.04809 133.2
[M-H]- 149.05159 127.2
[M+NH4]+ 168.09269 149.1
[M+K]+ 189.02203 126.8
[M+H-H2O]+ 133.05613 124.3
[M+HCOO]- 195.05707 140.7
[M+CH3COO]- 209.07272 160.8
[M+Na-2H]- 171.03354 130.7
[M]+ 150.05832 123.0
[M]- 150.05942 123.0
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

No patent data available for this compound.