CID 33529

2-(3,3-dimethylcyclohexylidene)acetaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(CCCC(=CC=O)C1)C
InChI
InChI=1S/C10H16O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,7H,3-4,6,8H2,1-2H3
InChIKey
TYHKWUGMKWVPDI-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylcyclohexylidene)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1567
Patents

152.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.1
[M+Na]+ 175.10934 139.5
[M-H]- 151.11284 136.4
[M+NH4]+ 170.15394 156.4
[M+K]+ 191.08328 137.8
[M+H-H2O]+ 135.11738 128.7
[M+HCOO]- 197.11832 153.7
[M+CH3COO]- 211.13397 175.7
[M+Na-2H]- 173.09479 138.4
[M]+ 152.11957 129.7
[M]- 152.12067 129.7
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