CID 534260

7-isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-2,3-naphthalenediol #

Structural Information

Molecular Formula
C14H22O2
SMILES
CC1C(C(CC2=C1CC(CC2)C(=C)C)O)O
InChI
InChI=1S/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3
InChIKey
XSCYYIVXGBKTOC-UHFFFAOYSA-N
Compound name
1-methyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

108
Patents

222.16199 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 152.1
[M+Na]+ 245.15121 157.6
[M-H]- 221.15471 153.3
[M+NH4]+ 240.19581 170.7
[M+K]+ 261.12515 153.8
[M+H-H2O]+ 205.15925 147.2
[M+HCOO]- 267.16019 165.6
[M+CH3COO]- 281.17584 189.1
[M+Na-2H]- 243.13666 152.1
[M]+ 222.16144 146.2
[M]- 222.16254 146.2
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

No patent data available for this compound.