CID 10920683

4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC=C(C(C1)(C)C)C=O
InChI
InChI=1S/C10H14O/c1-8-4-5-9(7-11)10(2,3)6-8/h4-5,7H,6H2,1-3H3
InChIKey
AGOZFZVIFYEFGK-UHFFFAOYSA-N
Compound name
4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

150.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 129.0
[M+Na]+ 173.09368 138.1
[M-H]- 149.09718 133.4
[M+NH4]+ 168.13828 152.9
[M+K]+ 189.06762 136.5
[M+H-H2O]+ 133.10172 124.8
[M+HCOO]- 195.10266 152.4
[M+CH3COO]- 209.11831 177.7
[M+Na-2H]- 171.07913 135.8
[M]+ 150.10391 129.7
[M]- 150.10501 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