CID 608117

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

Structural Information

Molecular Formula
C16H22
SMILES
CC1=C2CCCCC2=C(C3=C1CCCC3)C
InChI
InChI=1S/C16H22/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3-10H2,1-2H3
InChIKey
YXEZYSUNRPJMIU-UHFFFAOYSA-N
Compound name
9,10-dimethyl-1,2,3,4,5,6,7,8-octahydroanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

214.17215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17943 149.4
[M+Na]+ 237.16137 155.2
[M-H]- 213.16487 153.7
[M+NH4]+ 232.20597 170.3
[M+K]+ 253.13531 150.7
[M+H-H2O]+ 197.16941 142.8
[M+HCOO]- 259.17035 165.4
[M+CH3COO]- 273.18600 160.9
[M+Na-2H]- 235.14682 153.8
[M]+ 214.17160 144.3
[M]- 214.17270 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

patents stripe