CID 124914

62178-61-4

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CCCC1=NC=CC(=C1)C(=S=O)N
InChI
InChI=1S/C9H12N2OS/c1-2-3-8-6-7(4-5-11-8)9(10)13-12/h4-6H,2-3,10H2,1H3
InChIKey
IMKGWDRATOZYNY-UHFFFAOYSA-N
Compound name
(2-propyl-4-pyridinyl)-sulfinylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

196.06703 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 140.9
[M+Na]+ 219.056248 148.9
[M-H]- 195.059754 142.9
[M+NH4]+ 214.100853 159.1
[M+K]+ 235.030188 145.0
[M+H-H2O]+ 179.064290 134.2
[M+HCOO]- 241.065231 158.8
[M+CH3COO]- 255.080881 183.5
[M+Na-2H]- 217.041696 143.2
[M]+ 196.06648142 141.3
[M]- 196.06757858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.