CID 610936

9,10-dimethyl-1,2,3,4-tetrahydroanthracene

Structural Information

Molecular Formula
C16H18
SMILES
CC1=C2CCCCC2=C(C3=CC=CC=C13)C
InChI
InChI=1S/C16H18/c1-11-13-7-3-5-9-15(13)12(2)16-10-6-4-8-14(11)16/h3,5,7,9H,4,6,8,10H2,1-2H3
InChIKey
VOQZRIDDJFONSG-UHFFFAOYSA-N
Compound name
9,10-dimethyl-1,2,3,4-tetrahydroanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

210.14085 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 146.4
[M+Na]+ 233.130068 154.4
[M-H]- 209.133574 151.6
[M+NH4]+ 228.174673 167.8
[M+K]+ 249.104008 149.6
[M+H-H2O]+ 193.138110 139.9
[M+HCOO]- 255.139051 165.4
[M+CH3COO]- 269.154701 159.2
[M+Na-2H]- 231.115516 153.0
[M]+ 210.14030142 144.3
[M]- 210.14139858 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