CID 98246

2-exo-hydroxy-7-methyl-7-norbornanecarboxylic acid 7-lactone

Structural Information

Molecular Formula
C9H12O2
SMILES
CC12C3CCC1C(C3)OC2=O
InChI
InChI=1S/C9H12O2/c1-9-5-2-3-6(9)7(4-5)11-8(9)10/h5-7H,2-4H2,1H3
InChIKey
HGUNJLUBYIIFBJ-UHFFFAOYSA-N
Compound name
6-methyl-4-oxatricyclo[4.3.0.03,7]nonan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

152.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 131.4
[M+Na]+ 175.07294 140.5
[M-H]- 151.07644 136.7
[M+NH4]+ 170.11754 160.9
[M+K]+ 191.04688 139.5
[M+H-H2O]+ 135.08098 129.2
[M+HCOO]- 197.08192 152.2
[M+CH3COO]- 211.09757 146.5
[M+Na-2H]- 173.05839 135.5
[M]+ 152.08317 132.3
[M]- 152.08427 132.3
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