CID 15514

6-methyl-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C11H14
SMILES
CC1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C11H14/c1-9-6-7-10-4-2-3-5-11(10)8-9/h6-8H,2-5H2,1H3
InChIKey
IVIDJLLPQYHHLM-UHFFFAOYSA-N
Compound name
6-methyl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

591
Patents

146.10954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11682 129.3
[M+Na]+ 169.09876 136.3
[M-H]- 145.10226 133.5
[M+NH4]+ 164.14336 152.0
[M+K]+ 185.07270 133.6
[M+H-H2O]+ 129.10680 123.8
[M+HCOO]- 191.10774 150.4
[M+CH3COO]- 205.12339 143.0
[M+Na-2H]- 167.08421 137.2
[M]+ 146.10899 126.2
[M]- 146.11009 126.2
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