CID 165671872

2803862-04-4

Structural Information

Molecular Formula
C6H14N2OS
SMILES
C1CS(=N)(=O)CCC1CN
InChI
InChI=1S/C6H14N2OS/c7-5-6-1-3-10(8,9)4-2-6/h6,8H,1-5,7H2
InChIKey
RQUGTSXWDYXMNF-UHFFFAOYSA-N
Compound name
(1-imino-1-oxothian-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08269 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.089966 130.4
[M+Na]+ 185.071908 136.6
[M-H]- 161.075414 133.1
[M+NH4]+ 180.116513 152.6
[M+K]+ 201.045848 133.9
[M+H-H2O]+ 145.079950 125.6
[M+HCOO]- 207.080891 147.9
[M+CH3COO]- 221.096541 177.4
[M+Na-2H]- 183.057356 134.4
[M]+ 162.08214142 125.3
[M]- 162.08323858 125.3
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.