CID 110923

6784-13-0

Structural Information

Molecular Formula
C11H18O
SMILES
CC1=CCC(CC1)C(C)CC=O
InChI
InChI=1S/C11H18O/c1-9-3-5-11(6-4-9)10(2)7-8-12/h3,8,10-11H,4-7H2,1-2H3
InChIKey
VJYFMQREUJXCQV-UHFFFAOYSA-N
Compound name
3-(4-methylcyclohex-3-en-1-yl)butanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

467
Patents

166.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 138.8
[M+Na]+ 189.12499 150.2
[M+NH4]+ 184.16959 147.7
[M+K]+ 205.09893 143.4
[M-H]- 165.12849 140.9
[M+Na-2H]- 187.11044 144.1
[M]+ 166.13522 140.9
[M]- 166.13632 140.9
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