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]+ 169.08592 134.5
[M+Na]+ 191.06786 141.4
[M-H]- 167.07136 134.8
[M+NH4]+ 186.11246 157.2
[M+K]+ 207.04180 139.0
[M+H-H2O]+ 151.07590 130.7
[M+HCOO]- 213.07684 151.9
[M+CH3COO]- 227.09249 174.3
[M+Na-2H]- 189.05331 138.1
[M]+ 168.07809 131.6
[M]- 168.07919 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.