CID 155788461

Schembl22946394

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1(C2CC[C@@]3(C2)[C@@H](C1=C)CC[C@@H]3C(=O)O)C
InChI
InChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10?,11-,12-,15-/m1/s1
InChIKey
IJGMVUXEZUEDJR-NOFREYILSA-N
Compound name
(1R,2S,5S)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 157.5
[M+Na]+ 257.15121 164.5
[M-H]- 233.15471 160.3
[M+NH4]+ 252.19581 184.6
[M+K]+ 273.12515 159.9
[M+H-H2O]+ 217.15925 154.5
[M+HCOO]- 279.16019 172.1
[M+CH3COO]- 293.17584 191.1
[M+Na-2H]- 255.13666 157.8
[M]+ 234.16144 154.0
[M]- 234.16254 154.0
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

patents stripe