CID 3061225

78886-58-5

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CCC2=C(C1)C=CC=C2C(CN3C=CN=C3)O
InChI
InChI=1S/C15H18N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7-9,11,15,18H,1-2,4,6,10H2
InChIKey
MJDLQQLHTIXXQY-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.3
[M+Na]+ 265.13112 161.9
[M-H]- 241.13462 159.1
[M+NH4]+ 260.17572 172.6
[M+K]+ 281.10506 157.4
[M+H-H2O]+ 225.13916 147.6
[M+HCOO]- 287.14010 173.1
[M+CH3COO]- 301.15575 166.8
[M+Na-2H]- 263.11657 159.7
[M]+ 242.14135 152.7
[M]- 242.14245 152.7
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.