CID 121677

1,1,6-trimethyl-1,2-dihydronaphthalene

Structural Information

Molecular Formula
C13H16
SMILES
CC1=CC2=C(C=C1)C(CC=C2)(C)C
InChI
InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3
InChIKey
RTUMCNDCAVLXEP-UHFFFAOYSA-N
Compound name
1,1,6-trimethyl-2H-naphthalene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

78
Patents

172.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.13248 136.5
[M+Na]+ 195.11442 145.6
[M-H]- 171.11792 141.6
[M+NH4]+ 190.15902 160.6
[M+K]+ 211.08836 142.4
[M+H-H2O]+ 155.12246 131.3
[M+HCOO]- 217.12340 158.3
[M+CH3COO]- 231.13905 183.0
[M+Na-2H]- 193.09987 144.5
[M]+ 172.12465 136.2
[M]- 172.12575 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe