CID 58533

2-(2-tert-butylphenoxy)methyl-2-imidazoline hydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC(C)(C)C1=CC=CC=C1OCC2=NCCN2
InChI
InChI=1S/C14H20N2O/c1-14(2,3)11-6-4-5-7-12(11)17-10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16)
InChIKey
QJYVGAUJEPKKQH-UHFFFAOYSA-N
Compound name
2-[(2-tert-butylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.15756 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 156.3
[M+Na]+ 255.14678 162.8
[M-H]- 231.15028 158.7
[M+NH4]+ 250.19138 172.7
[M+K]+ 271.12072 159.2
[M+H-H2O]+ 215.15482 148.5
[M+HCOO]- 277.15576 174.5
[M+CH3COO]- 291.17141 187.9
[M+Na-2H]- 253.13223 160.3
[M]+ 232.15701 155.1
[M]- 232.15811 155.1
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

No patent data available for this compound.