CID 606653

4-phenanthrenol, 1,2,3,4-tetrahydro-4-methyl-

Structural Information

Molecular Formula
C15H16O
SMILES
CC1(CCCC2=C1C3=CC=CC=C3C=C2)O
InChI
InChI=1S/C15H16O/c1-15(16)10-4-6-12-9-8-11-5-2-3-7-13(11)14(12)15/h2-3,5,7-9,16H,4,6,10H2,1H3
InChIKey
MJMYLBVZKHOKNQ-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1H-phenanthren-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.127396 147.0
[M+Na]+ 235.109338 155.1
[M-H]- 211.112844 151.1
[M+NH4]+ 230.153943 169.3
[M+K]+ 251.083278 150.3
[M+H-H2O]+ 195.117380 140.8
[M+HCOO]- 257.118321 165.1
[M+CH3COO]- 271.133971 159.4
[M+Na-2H]- 233.094786 155.3
[M]+ 212.11957142 144.2
[M]- 212.12066858 144.2
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.