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-propylpyridin-4-yl)-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]+ 197.07431 140.9
[M+Na]+ 219.05625 148.9
[M-H]- 195.05975 142.9
[M+NH4]+ 214.10085 159.1
[M+K]+ 235.03019 145.0
[M+H-H2O]+ 179.06429 134.2
[M+HCOO]- 241.06523 158.8
[M+CH3COO]- 255.08088 183.5
[M+Na-2H]- 217.04170 143.2
[M]+ 196.06648 141.3
[M]- 196.06758 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.