CID 4200061

9,10-dimethyl-1,2,3,4,5,6,7,8-octahydro-phenanthrene

Structural Information

Molecular Formula
C16H22
SMILES
CC1=C(C2=C(CCCC2)C3=C1CCCC3)C
InChI
InChI=1S/C16H22/c1-11-12(2)14-8-4-6-10-16(14)15-9-5-3-7-13(11)15/h3-10H2,1-2H3
InChIKey
RVOHRACMQPXPLA-UHFFFAOYSA-N
Compound name
9,10-dimethyl-1,2,3,4,5,6,7,8-octahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.17215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.179426 149.4
[M+Na]+ 237.161368 155.2
[M-H]- 213.164874 153.7
[M+NH4]+ 232.205973 170.3
[M+K]+ 253.135308 150.7
[M+H-H2O]+ 197.169410 142.8
[M+HCOO]- 259.170351 165.4
[M+CH3COO]- 273.186001 160.9
[M+Na-2H]- 235.146816 153.8
[M]+ 214.17160142 144.3
[M]- 214.17269858 144.3
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.