CID 689056

138564-58-6

Structural Information

Molecular Formula
C6H6N2S
SMILES
CC1=CC(=C(S1)N)C#N
InChI
InChI=1S/C6H6N2S/c1-4-2-5(3-7)6(8)9-4/h2H,8H2,1H3
InChIKey
YGXADLPRHBRTPG-UHFFFAOYSA-N
Compound name
2-amino-5-methylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

138.02516 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03244 131.6
[M+Na]+ 161.01438 143.6
[M-H]- 137.01788 136.1
[M+NH4]+ 156.05898 153.5
[M+K]+ 176.98832 141.0
[M+H-H2O]+ 121.02242 120.2
[M+HCOO]- 183.02336 149.3
[M+CH3COO]- 197.03901 186.9
[M+Na-2H]- 158.99983 133.5
[M]+ 138.02461 127.5
[M]- 138.02571 127.5
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

patents stripe