CID 279048

4,5-dimethyltetradecahydrophenanthrene

Structural Information

Molecular Formula
C16H28
SMILES
CC1CCCC2C1C3C(CCCC3CC2)C
InChI
InChI=1S/C16H28/c1-11-5-3-7-13-9-10-14-8-4-6-12(2)16(14)15(11)13/h11-16H,3-10H2,1-2H3
InChIKey
LRCLMXSQZAMLRS-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.2191 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.226376 154.5
[M+Na]+ 243.208318 157.1
[M-H]- 219.211824 157.6
[M+NH4]+ 238.252923 174.9
[M+K]+ 259.182258 153.2
[M+H-H2O]+ 203.216360 147.8
[M+HCOO]- 265.217301 166.0
[M+CH3COO]- 279.232951 164.2
[M+Na-2H]- 241.193766 155.7
[M]+ 220.21855142 145.0
[M]- 220.21964858 145.0
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.