CID 290236

4651-94-9

Structural Information

Molecular Formula
C7H8N2S
SMILES
CC1=C(SC(=C1C#N)N)C
InChI
InChI=1S/C7H8N2S/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
InChIKey
DTDMOFLHHZZNFB-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

111
Patents

152.04082 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 135.1
[M+Na]+ 175.03004 147.4
[M-H]- 151.03354 139.7
[M+NH4]+ 170.07464 156.7
[M+K]+ 191.00398 144.6
[M+H-H2O]+ 135.03808 123.8
[M+HCOO]- 197.03902 152.4
[M+CH3COO]- 211.05467 190.6
[M+Na-2H]- 173.01549 135.9
[M]+ 152.04027 131.6
[M]- 152.04137 131.6
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