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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.13288	154.7
[M+Na]+	269.11482	161.6
[M-H]-	245.11832	156.6
[M+NH4]+	264.15942	172.2
[M+K]+	285.08876	157.8
[M+H-H2O]+	229.12286	149.5
[M+HCOO]-	291.12380	170.2
[M+CH3COO]-	305.13945	193.6
[M+Na-2H]-	267.10027	155.1
[M]+	246.12505	152.3
[M]-	246.12615	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe