CID 161993

3-propylbicyclo(2.2.1)hept-5-ene-2-carbaldehyde

Structural Information

Molecular Formula
C11H16O
SMILES
CCCC1C2CC(C1C=O)C=C2
InChI
InChI=1S/C11H16O/c1-2-3-10-8-4-5-9(6-8)11(10)7-12/h4-5,7-11H,2-3,6H2,1H3
InChIKey
RPJGEHBYOXRURE-UHFFFAOYSA-N
Compound name
3-propylbicyclo[2.2.1]hept-5-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

977
Patents

164.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 138.7
[M+Na]+ 187.10934 146.9
[M-H]- 163.11284 141.8
[M+NH4]+ 182.15394 164.9
[M+K]+ 203.08328 144.3
[M+H-H2O]+ 147.11738 134.7
[M+HCOO]- 209.11832 161.2
[M+CH3COO]- 223.13397 180.7
[M+Na-2H]- 185.09479 141.7
[M]+ 164.11957 140.1
[M]- 164.12067 140.1
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