CID 3059785

77234-83-4

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)C(CN2C=CN=C2)O
InChI
InChI=1S/C15H20N2O/c1-15(2,3)13-6-4-12(5-7-13)14(18)10-17-9-8-16-11-17/h4-9,11,14,18H,10H2,1-3H3
InChIKey
XVDCESAYHTYKTJ-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

244.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.164836 159.1
[M+Na]+ 267.146778 165.9
[M-H]- 243.150284 162.0
[M+NH4]+ 262.191383 175.1
[M+K]+ 283.120718 162.4
[M+H-H2O]+ 227.154820 151.3
[M+HCOO]- 289.155761 177.5
[M+CH3COO]- 303.171411 191.4
[M+Na-2H]- 265.132226 162.5
[M]+ 244.15701142 159.2
[M]- 244.15810858 159.2
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