CID 21917382

Dtxcid7029320

Structural Information

Molecular Formula
C7H14N2
SMILES
CCCN1CN(C=C1)C
InChI
InChI=1S/C7H14N2/c1-3-4-9-6-5-8(2)7-9/h5-6H,3-4,7H2,1-2H3
InChIKey
JFYZBXKLRPWSGV-UHFFFAOYSA-N
Compound name
1-methyl-3-propyl-2H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

3011
Patents

126.1157 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 127.2
[M+Na]+ 149.10492 135.4
[M-H]- 125.10842 128.0
[M+NH4]+ 144.14952 148.9
[M+K]+ 165.07886 134.5
[M+H-H2O]+ 109.11296 120.5
[M+HCOO]- 171.11390 149.1
[M+CH3COO]- 185.12955 172.4
[M+Na-2H]- 147.09037 132.3
[M]+ 126.11515 127.1
[M]- 126.11625 127.1
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