CID 118745

2-propylhept-2-enal

Structural Information

Molecular Formula
C10H18O
SMILES
CCCCC=C(CCC)C=O
InChI
InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3
InChIKey
GADNZGQWPNTMCH-UHFFFAOYSA-N
Compound name
2-propylhept-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

708
Patents

154.13577 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 137.9
[M+Na]+ 177.12499 148.0
[M+NH4]+ 172.16959 145.4
[M+K]+ 193.09893 141.2
[M-H]- 153.12849 137.2
[M+Na-2H]- 175.11044 141.0
[M]+ 154.13522 138.9
[M]- 154.13632 138.9
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