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

50
Patents

165.03607 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04335 130.6
[M+Na]+ 188.02529 142.3
[M+NH4]+ 183.06989 135.9
[M+K]+ 203.99923 131.8
[M-H]- 164.02879 125.9
[M+Na-2H]- 186.01074 134.6
[M]+ 165.03552 130.5
[M]- 165.03662 130.5
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