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

16
Patents

146.05925 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06653 126.1
[M+Na]+ 169.04847 139.5
[M-H]- 145.05197 126.5
[M+NH4]+ 164.09307 145.8
[M+K]+ 185.02241 136.0
[M+H-H2O]+ 129.05651 111.5
[M+HCOO]- 191.05745 146.1
[M+CH3COO]- 205.07310 139.2
[M+Na-2H]- 167.03392 132.0
[M]+ 146.05870 123.6
[M]- 146.05980 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