CID 132081753

Imino(methyl)(pyrrolidin-3-yl)-lambda6-sulfanone

Structural Information

Molecular Formula
C5H12N2OS
SMILES
CS(=N)(=O)C1CCNC1
InChI
InChI=1S/C5H12N2OS/c1-9(6,8)5-2-3-7-4-5/h5-7H,2-4H2,1H3
InChIKey
GTLFRWSAPDSICK-UHFFFAOYSA-N
Compound name
imino-methyl-oxo-pyrrolidin-3-yl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.06703 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.074306 130.8
[M+Na]+ 171.056248 137.8
[M-H]- 147.059754 131.7
[M+NH4]+ 166.100853 152.0
[M+K]+ 187.030188 135.2
[M+H-H2O]+ 131.064290 125.6
[M+HCOO]- 193.065231 146.4
[M+CH3COO]- 207.080881 169.4
[M+Na-2H]- 169.041696 133.8
[M]+ 148.06648142 126.8
[M]- 148.06757858 126.8
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

patents stripe