CID 46398261

2-(dimethyl-1,3-thiazol-2-yl)acetonitrile

Structural Information

Molecular Formula
C7H8N2S
SMILES
CC1=C(SC(=N1)CC#N)C
InChI
InChI=1S/C7H8N2S/c1-5-6(2)10-7(9-5)3-4-8/h3H2,1-2H3
InChIKey
ZZUFHCBRALCGFV-UHFFFAOYSA-N
Compound name
2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

152.04082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.048096 131.7
[M+Na]+ 175.030038 144.0
[M-H]- 151.033544 135.1
[M+NH4]+ 170.074643 152.4
[M+K]+ 191.003978 141.7
[M+H-H2O]+ 135.038080 119.5
[M+HCOO]- 197.039021 147.7
[M+CH3COO]- 211.054671 188.3
[M+Na-2H]- 173.015486 133.7
[M]+ 152.04027142 129.9
[M]- 152.04136858 129.9
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