CID 177787708

3028134-67-7

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]+ 163.089966 135.2
[M+Na]+ 185.071908 141.7
[M-H]- 161.075414 135.8
[M+NH4]+ 180.116513 155.8
[M+K]+ 201.045848 138.9
[M+H-H2O]+ 145.079950 129.7
[M+HCOO]- 207.080891 150.4
[M+CH3COO]- 221.096541 172.4
[M+Na-2H]- 183.057356 137.7
[M]+ 162.08214142 131.5
[M]- 162.08323858 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.