CID 3014509

1,2-dimethylacenaphthene-1,2-diol

Structural Information

Molecular Formula
C14H14O2
SMILES
CC1(C2=CC=CC3=C2C(=CC=C3)C1(C)O)O
InChI
InChI=1S/C14H14O2/c1-13(15)10-7-3-5-9-6-4-8-11(12(9)10)14(13,2)16/h3-8,15-16H,1-2H3
InChIKey
QSDXRXVHRKLPHO-UHFFFAOYSA-N
Compound name
1,2-dimethylacenaphthylene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

214.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10666 147.0
[M+Na]+ 237.08860 158.1
[M-H]- 213.09210 150.4
[M+NH4]+ 232.13320 173.2
[M+K]+ 253.06254 153.1
[M+H-H2O]+ 197.09664 142.8
[M+HCOO]- 259.09758 166.4
[M+CH3COO]- 273.11323 160.7
[M+Na-2H]- 235.07405 154.8
[M]+ 214.09883 148.6
[M]- 214.09993 148.6
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