CID 3014782

1,4,6,7-tetramethylnaphthalene

Structural Information

Molecular Formula
C14H16
SMILES
CC1=C2C=C(C(=CC2=C(C=C1)C)C)C
InChI
InChI=1S/C14H16/c1-9-5-6-10(2)14-8-12(4)11(3)7-13(9)14/h5-8H,1-4H3
InChIKey
VPSPONOBLZCLIU-UHFFFAOYSA-N
Compound name
1,4,6,7-tetramethylnaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

184.1252 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.132476 138.5
[M+Na]+ 207.114418 149.1
[M-H]- 183.117924 144.1
[M+NH4]+ 202.159023 160.8
[M+K]+ 223.088358 145.4
[M+H-H2O]+ 167.122460 133.2
[M+HCOO]- 229.123401 161.4
[M+CH3COO]- 243.139051 188.5
[M+Na-2H]- 205.099866 144.8
[M]+ 184.12465142 140.6
[M]- 184.12574858 140.6
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