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 135.3
[M+Na]+ 188.02529 146.4
[M-H]- 164.02879 137.9
[M+NH4]+ 183.06989 153.2
[M+K]+ 203.99923 143.6
[M+H-H2O]+ 148.03333 122.7
[M+HCOO]- 210.03427 150.8
[M+CH3COO]- 224.04992 191.8
[M+Na-2H]- 186.01074 138.8
[M]+ 165.03552 131.0
[M]- 165.03662 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