CID 177787708

Imino(methyl){[(2s)-pyrrolidin-2-yl]methyl}-lambda6-sulfanone dihydrochloride

Structural Information

Molecular Formula
C6H14N2OS
SMILES
CS(=N)(=O)C[C@@H]1CCCN1
InChI
InChI=1S/C6H14N2OS/c1-10(7,9)5-6-3-2-4-8-6/h6-8H,2-5H2,1H3/t6-,10?/m0/s1
InChIKey
QCRMWBJVXIJZRC-UOQJWNSWSA-N
Compound name
imino-methyl-oxo-[[(2S)-pyrrolidin-2-yl]methyl]-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08269 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08997 135.2
[M+Na]+ 185.07191 141.7
[M-H]- 161.07541 135.8
[M+NH4]+ 180.11651 155.8
[M+K]+ 201.04585 138.9
[M+H-H2O]+ 145.07995 129.7
[M+HCOO]- 207.08089 150.4
[M+CH3COO]- 221.09654 172.4
[M+Na-2H]- 183.05736 137.7
[M]+ 162.08214 131.5
[M]- 162.08324 131.5
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.