CID 90659154

6alpha-hydroxygermacra-1(10),4,11(13)-trien-12-oate

Structural Information

Molecular Formula
C15H22O3
SMILES
C/C/1=C\CC/C(=C/[C@H]([C@@H](CC1)C(=C)C(=O)O)O)/C
InChI
InChI=1S/C15H22O3/c1-10-5-4-6-11(2)9-14(16)13(8-7-10)12(3)15(17)18/h5,9,13-14,16H,3-4,6-8H2,1-2H3,(H,17,18)/b10-5+,11-9+/t13-,14+/m0/s1
InChIKey
DCBBYKNERJKYSH-AHNJNIBGSA-N
Compound name
2-[(1S,2R,3E,7E)-2-hydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

250.15689 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 157.6
[M+Na]+ 273.14611 166.9
[M+NH4]+ 268.19071 162.8
[M+K]+ 289.12005 162.3
[M-H]- 249.14961 157.5
[M+Na-2H]- 271.13156 160.2
[M]+ 250.15634 158.3
[M]- 250.15744 158.3
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.