CID 12643032

53952-18-4

Structural Information

Molecular Formula
C12H16O
SMILES
CC1(CCC(C2=CC=CC=C21)O)C
InChI
InChI=1S/C12H16O/c1-12(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11,13H,7-8H2,1-2H3
InChIKey
MEFVOBKOEJGUQI-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

176.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 138.0
[M+Na]+ 199.10934 146.0
[M-H]- 175.11284 141.4
[M+NH4]+ 194.15394 161.1
[M+K]+ 215.08328 142.9
[M+H-H2O]+ 159.11738 133.1
[M+HCOO]- 221.11832 157.4
[M+CH3COO]- 235.13397 179.7
[M+Na-2H]- 197.09479 145.1
[M]+ 176.11957 135.6
[M]- 176.12067 135.6
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