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
4
Annotation Hits

0
References

470
Patents

166.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 138.1
[M+Na]+ 189.124988 143.6
[M-H]- 165.128494 141.2
[M+NH4]+ 184.169593 158.8
[M+K]+ 205.098928 142.2
[M+H-H2O]+ 149.133030 132.7
[M+HCOO]- 211.133971 158.6
[M+CH3COO]- 225.149621 181.2
[M+Na-2H]- 187.110436 141.5
[M]+ 166.13522142 136.4
[M]- 166.13631858 136.4
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