CID 25285

2-octyl-4,5-dihydro-1h-imidazole

Structural Information

Molecular Formula
C11H22N2
SMILES
CCCCCCCCC1=NCCN1
InChI
InChI=1S/C11H22N2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h2-10H2,1H3,(H,12,13)
InChIKey
RPEKHMWFNMGIHP-UHFFFAOYSA-N
Compound name
2-octyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

182.1783 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.185576 146.5
[M+Na]+ 205.167518 151.5
[M-H]- 181.171024 144.7
[M+NH4]+ 200.212123 164.7
[M+K]+ 221.141458 148.6
[M+H-H2O]+ 165.175560 138.8
[M+HCOO]- 227.176501 165.5
[M+CH3COO]- 241.192151 180.7
[M+Na-2H]- 203.152966 149.6
[M]+ 182.17775142 145.5
[M]- 182.17884858 145.5
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