CID 122809

Nsc 310618

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1=CC(=C(C2=C1CCC(C2)C(=C)C)C(=O)O)O
InChI
InChI=1S/C15H18O3/c1-8(2)10-4-5-11-9(3)6-13(16)14(15(17)18)12(11)7-10/h6,10,16H,1,4-5,7H2,2-3H3,(H,17,18)
InChIKey
GOBPGMOBZHNSGZ-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

246.1256 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 155.8
[M+Na]+ 269.11482 167.1
[M+NH4]+ 264.15942 163.1
[M+K]+ 285.08876 161.9
[M-H]- 245.11832 156.6
[M+Na-2H]- 267.10027 158.4
[M]+ 246.12505 157.4
[M]- 246.12615 157.4
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