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]+ 163.08997 130.4
[M+Na]+ 185.07191 136.6
[M-H]- 161.07541 133.1
[M+NH4]+ 180.11651 152.6
[M+K]+ 201.04585 133.9
[M+H-H2O]+ 145.07995 125.6
[M+HCOO]- 207.08089 147.9
[M+CH3COO]- 221.09654 177.4
[M+Na-2H]- 183.05736 134.4
[M]+ 162.08214 125.3
[M]- 162.08324 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.