CID 110858

6465-95-8

Structural Information

Molecular Formula
C9H12O
SMILES
CC1C2CC(C1C=O)C=C2
InChI
InChI=1S/C9H12O/c1-6-7-2-3-8(4-7)9(6)5-10/h2-3,5-9H,4H2,1H3
InChIKey
ZZQYFYSMSNWWNS-UHFFFAOYSA-N
Compound name
3-methylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

136.08882 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 129.1
[M+Na]+ 159.078038 138.2
[M-H]- 135.081544 132.6
[M+NH4]+ 154.122643 156.5
[M+K]+ 175.051978 136.2
[M+H-H2O]+ 119.086080 125.5
[M+HCOO]- 181.087021 152.3
[M+CH3COO]- 195.102671 174.6
[M+Na-2H]- 157.063486 133.2
[M]+ 136.08827142 129.8
[M]- 136.08936858 129.8
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