CID 100742441

1-{1,3-dimethyl-1h-thieno[2,3-c]pyrazol-5-yl}ethan-1-one

Structural Information

Molecular Formula
C9H10N2OS
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)C)C
InChI
InChI=1S/C9H10N2OS/c1-5-7-4-8(6(2)12)13-9(7)11(3)10-5/h4H,1-3H3
InChIKey
UVDLANZRAQWTFW-UHFFFAOYSA-N
Compound name
1-(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.05139 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05867 140.1
[M+Na]+ 217.04061 153.3
[M-H]- 193.04411 144.2
[M+NH4]+ 212.08521 163.3
[M+K]+ 233.01455 150.8
[M+H-H2O]+ 177.04865 135.1
[M+HCOO]- 239.04959 159.4
[M+CH3COO]- 253.06524 183.5
[M+Na-2H]- 215.02606 140.6
[M]+ 194.05084 146.8
[M]- 194.05194 146.8
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