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
2
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]+ 165.127396 136.2
[M+Na]+ 187.109338 142.7
[M-H]- 163.112844 139.6
[M+NH4]+ 182.153943 157.1
[M+K]+ 203.083278 141.0
[M+H-H2O]+ 147.117380 130.7
[M+HCOO]- 209.118321 158.1
[M+CH3COO]- 223.133971 180.9
[M+Na-2H]- 185.094786 140.5
[M]+ 164.11957142 135.9
[M]- 164.12066858 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.