CID 22336879

1-cyclohexene-1-propanal, 4,4-dimethyl-

Structural Information

Molecular Formula
C11H18O
SMILES
CC1(CCC(=CC1)CCC=O)C
InChI
InChI=1S/C11H18O/c1-11(2)7-5-10(6-8-11)4-3-9-12/h5,9H,3-4,6-8H2,1-2H3
InChIKey
IHMKWBJKOWYASH-UHFFFAOYSA-N
Compound name
3-(4,4-dimethylcyclohexen-1-yl)propanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

338
Patents

166.13577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 137.0
[M+Na]+ 189.124988 143.7
[M-H]- 165.128494 140.4
[M+NH4]+ 184.169593 159.8
[M+K]+ 205.098928 142.0
[M+H-H2O]+ 149.133030 132.3
[M+HCOO]- 211.133971 158.5
[M+CH3COO]- 225.149621 180.0
[M+Na-2H]- 187.110436 142.7
[M]+ 166.13522142 136.2
[M]- 166.13631858 136.2
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