CID 85503090

Ns00134211

Structural Information

Molecular Formula
C15H22O3
SMILES
CC12CCCC(=C)C1C(C(CC2)C(=C)C(=O)O)O
InChI
InChI=1S/C15H22O3/c1-9-5-4-7-15(3)8-6-11(10(2)14(17)18)13(16)12(9)15/h11-13,16H,1-2,4-8H2,3H3,(H,17,18)
InChIKey
QTSQCCVLTMKKDP-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 158.4
[M+Na]+ 273.146108 162.6
[M-H]- 249.149614 158.9
[M+NH4]+ 268.190713 177.1
[M+K]+ 289.120048 158.9
[M+H-H2O]+ 233.154150 154.1
[M+HCOO]- 295.155091 169.5
[M+CH3COO]- 309.170741 192.3
[M+Na-2H]- 271.131556 157.7
[M]+ 250.15634142 150.8
[M]- 250.15743858 150.8
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

No patent data available for this compound.