CID 12456209

2-(5-methyl-1h-imidazol-4-yl)acetonitrile

Structural Information

Molecular Formula
C6H7N3
SMILES
CC1=C(N=CN1)CC#N
InChI
InChI=1S/C6H7N3/c1-5-6(2-3-7)9-4-8-5/h4H,2H2,1H3,(H,8,9)
InChIKey
RREQMVIEIZZIPD-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-imidazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

121.063995 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 121.8
[M+Na]+ 144.05321 132.2
[M-H]- 120.05672 121.1
[M+NH4]+ 139.09782 140.4
[M+K]+ 160.02715 129.9
[M+H-H2O]+ 104.06126 108.3
[M+HCOO]- 166.06220 140.2
[M+CH3COO]- 180.07785 181.1
[M+Na-2H]- 142.03866 127.7
[M]+ 121.06345 115.7
[M]- 121.06454 115.7
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