CID 52890

74038-81-6

Structural Information

Molecular Formula
C16H32N2O
SMILES
CCCCCCCCCC1=NC(CN1CCO)(C)C
InChI
InChI=1S/C16H32N2O/c1-4-5-6-7-8-9-10-11-15-17-16(2,3)14-18(15)12-13-19/h19H,4-14H2,1-3H3
InChIKey
LBXCABUUPOKOJP-UHFFFAOYSA-N
Compound name
2-(5,5-dimethyl-2-nonyl-4H-imidazol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.25146 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.25874 168.9
[M+Na]+ 291.24068 174.6
[M-H]- 267.24418 167.5
[M+NH4]+ 286.28528 186.4
[M+K]+ 307.21462 171.1
[M+H-H2O]+ 251.24872 161.9
[M+HCOO]- 313.24966 186.6
[M+CH3COO]- 327.26531 199.3
[M+Na-2H]- 289.22613 169.5
[M]+ 268.25091 172.3
[M]- 268.25201 172.3
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

No patent data available for this compound.