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
4
Annotation Hits

76
References

741
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 157.2
[M+Na]+ 257.15121 162.7
[M-H]- 233.15471 159.6
[M+NH4]+ 252.19581 177.5
[M+K]+ 273.12515 159.1
[M+H-H2O]+ 217.15925 152.4
[M+HCOO]- 279.16019 173.2
[M+CH3COO]- 293.17584 192.2
[M+Na-2H]- 255.13666 155.1
[M]+ 234.16144 153.8
[M]- 234.16254 153.8
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.