CID 107366

Methyl (8,9,10-trinorborn-5-en-2-yl) ketone

Structural Information

Molecular Formula
C9H12O
SMILES
CC(=O)C1CC2CC1C=C2
InChI
InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3
InChIKey
NIMLCWCLVJRPFY-UHFFFAOYSA-N
Compound name
1-(2-bicyclo[2.2.1]hept-5-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1763
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 130.7
[M+Na]+ 159.07804 138.6
[M-H]- 135.08154 133.8
[M+NH4]+ 154.12264 157.7
[M+K]+ 175.05198 137.0
[M+H-H2O]+ 119.08608 126.8
[M+HCOO]- 181.08702 152.8
[M+CH3COO]- 195.10267 174.4
[M+Na-2H]- 157.06349 134.1
[M]+ 136.08827 130.3
[M]- 136.08937 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe