CID 19089125

135830-04-5

Structural Information

Molecular Formula
C7H6N4
SMILES
CN1C=CN2C1=C(C=N2)C#N
InChI
InChI=1S/C7H6N4/c1-10-2-3-11-7(10)6(4-8)5-9-11/h2-3,5H,1H3
InChIKey
OKRHNDXHPCRASP-UHFFFAOYSA-N
Compound name
1-methylimidazo[2,1-e]pyrazole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

146.05925 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.066526 126.1
[M+Na]+ 169.048468 139.5
[M-H]- 145.051974 126.5
[M+NH4]+ 164.093073 145.8
[M+K]+ 185.022408 136.0
[M+H-H2O]+ 129.056510 111.5
[M+HCOO]- 191.057451 146.1
[M+CH3COO]- 205.073101 139.2
[M+Na-2H]- 167.033916 132.0
[M]+ 146.05870142 123.6
[M]- 146.05979858 123.6
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