CID 44146678

93941-67-4

Structural Information

Molecular Formula
C11H16O
SMILES
CC(C)C1=CC=C(CC1)CC=O
InChI
InChI=1S/C11H16O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3,5,8-9H,4,6-7H2,1-2H3
InChIKey
AWSBPDVWCHGCNK-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.2
[M+Na]+ 187.10934 142.7
[M-H]- 163.11284 139.6
[M+NH4]+ 182.15394 157.1
[M+K]+ 203.08328 141.0
[M+H-H2O]+ 147.11738 130.7
[M+HCOO]- 209.11832 158.1
[M+CH3COO]- 223.13397 180.9
[M+Na-2H]- 185.09479 140.5
[M]+ 164.11957 135.9
[M]- 164.12067 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.