CID 154814231

Rac-(1r,5s,7s)-7-hydroxybicyclo[3.2.1]oct-2-ene-3-carboxylic acid

Structural Information

Molecular Formula
C9H12O3
SMILES
C1[C@H]2C[C@H]([C@@H]1C=C(C2)C(=O)O)O
InChI
InChI=1S/C9H12O3/c10-8-3-5-1-6(8)4-7(2-5)9(11)12/h4-6,8,10H,1-3H2,(H,11,12)/t5-,6+,8-/m1/s1
InChIKey
LOIFQAZXRVMAHF-GKROBHDKSA-N
Compound name
(1S,5R,7R)-7-hydroxybicyclo[3.2.1]oct-2-ene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 134.5
[M+Na]+ 191.067858 141.4
[M-H]- 167.071364 134.8
[M+NH4]+ 186.112463 157.2
[M+K]+ 207.041798 139.0
[M+H-H2O]+ 151.075900 130.7
[M+HCOO]- 213.076841 151.9
[M+CH3COO]- 227.092491 174.3
[M+Na-2H]- 189.053306 138.1
[M]+ 168.07809142 131.6
[M]- 168.07918858 131.6
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.