CID 13691866

34132-00-8

Structural Information

Molecular Formula
C9H12O
SMILES
CC(=O)C1C2CC3C1C3C2
InChI
InChI=1S/C9H12O/c1-4(10)8-5-2-6-7(3-5)9(6)8/h5-9H,2-3H2,1H3
InChIKey
SRUPJZPLNFIJOB-UHFFFAOYSA-N
Compound name
1-(3-tricyclo[2.2.1.02,6]heptanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.08882 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 122.3
[M+Na]+ 159.07804 132.1
[M+NH4]+ 154.12264 133.9
[M+K]+ 175.05198 133.2
[M-H]- 135.08154 127.8
[M+Na-2H]- 157.06349 123.1
[M]+ 136.08827 126.2
[M]- 136.08937 126.2
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.