CID 6042891

(e)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1h-inden-4-yl)-2-methylprop-2-enoic acid

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1CCC(C2=C(CCC12)C)/C=C(\C)/C(=O)O
InChI
InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+
InChIKey
FEBNTWHYQKGEIQ-DHZHZOJOSA-N
Compound name
(E)-3-(3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

75
References

698
Patents

234.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 156.7
[M+Na]+ 257.15121 165.6
[M+NH4]+ 252.19581 164.5
[M+K]+ 273.12515 161.9
[M-H]- 233.15471 157.2
[M+Na-2H]- 255.13666 157.6
[M]+ 234.16144 157.8
[M]- 234.16254 157.8
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

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