CID 107331

6-methylcyclohexa-1,3-diene-1-carbaldehyde

Structural Information

Molecular Formula
C8H10O
SMILES
CC1CC=CC=C1C=O
InChI
InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-3,5-7H,4H2,1H3
InChIKey
UINSAUGFYNAHOP-UHFFFAOYSA-N
Compound name
6-methylcyclohexa-1,3-diene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

122.073166 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 121.9
[M+Na]+ 145.062384 130.0
[M-H]- 121.065890 125.8
[M+NH4]+ 140.106989 144.5
[M+K]+ 161.036324 128.6
[M+H-H2O]+ 105.070426 117.0
[M+HCOO]- 167.071367 145.9
[M+CH3COO]- 181.087017 170.9
[M+Na-2H]- 143.047832 129.2
[M]+ 122.07261742 121.2
[M]- 122.07371458 121.2
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