CID 10988200

1-deoxypentalenate

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC(C[C@H]3C=C2C(=O)O)(C)C
InChI
InChI=1S/C15H22O2/c1-9-4-5-12-11(13(16)17)6-10-7-14(2,3)8-15(9,10)12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,16,17)/t9-,10-,12+,15-/m1/s1
InChIKey
DCFDRCCHOOORSB-DSKWVYQCSA-N
Compound name
(1R,2R,5R,8S)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 154.7
[M+Na]+ 257.15121 161.9
[M+NH4]+ 252.19581 166.2
[M+K]+ 273.12515 158.5
[M-H]- 233.15471 155.4
[M+Na-2H]- 255.13666 157.7
[M]+ 234.16144 155.9
[M]- 234.16254 155.9
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.