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

1
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]+ 235.169266 157.5
[M+Na]+ 257.151208 164.5
[M-H]- 233.154714 160.3
[M+NH4]+ 252.195813 184.6
[M+K]+ 273.125148 159.9
[M+H-H2O]+ 217.159250 154.5
[M+HCOO]- 279.160191 172.1
[M+CH3COO]- 293.175841 191.1
[M+Na-2H]- 255.136656 157.8
[M]+ 234.16144142 154.0
[M]- 234.16253858 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