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]+ 151.066146 125.8
[M+Na]+ 173.048088 133.3
[M-H]- 149.051594 127.2
[M+NH4]+ 168.092693 149.1
[M+K]+ 189.022028 126.8
[M+H-H2O]+ 133.056130 124.3
[M+HCOO]- 195.057071 140.7
[M+CH3COO]- 209.072721 160.8
[M+Na-2H]- 171.033536 130.7
[M]+ 150.05832142 123.0
[M]- 150.05941858 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.