CID 4581093

2,3-dimethyl-1,4,5,8-tetrahydronaphthalene

Structural Information

Molecular Formula
C12H16
SMILES
CC1=C(CC2=C(C1)CC=CC2)C
InChI
InChI=1S/C12H16/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-4H,5-8H2,1-2H3
InChIKey
FWLOQFXAPUFMRT-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1,4,5,8-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

160.1252 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13248 133.6
[M+Na]+ 183.11442 141.1
[M-H]- 159.11792 138.0
[M+NH4]+ 178.15902 156.0
[M+K]+ 199.08836 138.1
[M+H-H2O]+ 143.12246 128.1
[M+HCOO]- 205.12340 154.3
[M+CH3COO]- 219.13905 180.8
[M+Na-2H]- 181.09987 140.2
[M]+ 160.12465 131.2
[M]- 160.12575 131.2
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