CID 12386878

1615-03-8

Structural Information

Molecular Formula
C4H8N2
SMILES
CC1CN=CN1
InChI
InChI=1S/C4H8N2/c1-4-2-5-3-6-4/h3-4H,2H2,1H3,(H,5,6)
InChIKey
STFIZEBRSSCPKA-UHFFFAOYSA-N
Compound name
5-methyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

807
Patents

84.06875 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.076026 115.1
[M+Na]+ 107.05797 126.1
[M+NH4]+ 102.10257 123.7
[M+K]+ 123.03191 122.4
[M-H]- 83.061474 115.3
[M+Na-2H]- 105.04342 120.8
[M]+ 84.068201 116.4
[M]- 84.069299 116.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe