CID 376749

Nsc657803

Structural Information

Molecular Formula
C9H12O2
SMILES
C1C2CC(=O)CC1C(C=C2)O
InChI
InChI=1S/C9H12O2/c10-8-4-6-1-2-9(11)7(3-6)5-8/h1-2,6-7,9,11H,3-5H2
InChIKey
PEVQSKXVVDPQIT-UHFFFAOYSA-N
Compound name
8-hydroxybicyclo[3.3.1]non-6-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 129.1
[M+Na]+ 175.07294 135.9
[M-H]- 151.07644 130.6
[M+NH4]+ 170.11754 151.5
[M+K]+ 191.04688 133.6
[M+H-H2O]+ 135.08098 124.6
[M+HCOO]- 197.08192 146.7
[M+CH3COO]- 211.09757 174.2
[M+Na-2H]- 173.05839 135.9
[M]+ 152.08317 125.2
[M]- 152.08427 125.2
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.