CID 108948

2-methylcyclohexa-1,4-diene-1-carbaldehyde

Structural Information

Molecular Formula
C8H10O
SMILES
CC1=C(CC=CC1)C=O
InChI
InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-3,6H,4-5H2,1H3
InChIKey
BWDDYPIKNXWPEU-UHFFFAOYSA-N
Compound name
2-methylcyclohexa-1,4-diene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

122.073166 Da
Monoisotopic Mass

1.3
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

No literature data available for this compound.

Patent stripe

patents stripe