CID 3061235

4-(alpha-(2',6'-dimethylphenyl)ethoxymethyl)imidazole hydrochloride

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCOC(C1=CN=CN1)C2=C(C=CC=C2C)C
InChI
InChI=1S/C14H18N2O/c1-4-17-14(12-8-15-9-16-12)13-10(2)6-5-7-11(13)3/h5-9,14H,4H2,1-3H3,(H,15,16)
InChIKey
IPUINQCRQWXRSQ-UHFFFAOYSA-N
Compound name
5-[(2,6-dimethylphenyl)-ethoxymethyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

230.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.8
[M+Na]+ 253.13112 161.5
[M-H]- 229.13462 156.8
[M+NH4]+ 248.17572 170.4
[M+K]+ 269.10506 157.7
[M+H-H2O]+ 213.13916 145.7
[M+HCOO]- 275.14010 174.1
[M+CH3COO]- 289.15575 189.8
[M+Na-2H]- 251.11657 156.2
[M]+ 230.14135 154.5
[M]- 230.14245 154.5
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