CID 68276527

1392149-89-1

Structural Information

Molecular Formula
C7H7N3S
SMILES
CSC1=C(C=CC(=N1)N)C#N
InChI
InChI=1S/C7H7N3S/c1-11-7-5(4-8)2-3-6(9)10-7/h2-3H,1H3,(H2,9,10)
InChIKey
WDUYGQZRZXAAGJ-UHFFFAOYSA-N
Compound name
6-amino-2-methylsulfanylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

165.03607 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.043346 135.3
[M+Na]+ 188.025288 146.4
[M-H]- 164.028794 137.9
[M+NH4]+ 183.069893 153.2
[M+K]+ 203.999228 143.6
[M+H-H2O]+ 148.033330 122.7
[M+HCOO]- 210.034271 150.8
[M+CH3COO]- 224.049921 191.8
[M+Na-2H]- 186.010736 138.8
[M]+ 165.03552142 131.0
[M]- 165.03661858 131.0
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

patents stripe