CID 14020380

5-methoxybicyclo[2.2.1]heptan-2-one

Structural Information

Molecular Formula
C8H12O2
SMILES
COC1CC2CC1CC2=O
InChI
InChI=1S/C8H12O2/c1-10-8-4-5-2-6(8)3-7(5)9/h5-6,8H,2-4H2,1H3
InChIKey
JJAZPXZSNVRJPC-UHFFFAOYSA-N
Compound name
5-methoxybicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.3
[M+Na]+ 163.072938 137.7
[M-H]- 139.076444 132.5
[M+NH4]+ 158.117543 156.4
[M+K]+ 179.046878 136.6
[M+H-H2O]+ 123.080980 125.8
[M+HCOO]- 185.081921 151.5
[M+CH3COO]- 199.097571 174.0
[M+Na-2H]- 161.058386 133.1
[M]+ 140.08317142 129.6
[M]- 140.08426858 129.6
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.