CID 155308

1-azulenecarboxaldehyde, 7-ethyl-4-methyl-

Structural Information

Molecular Formula
C14H14O
SMILES
CCC1=CC2=C(C=CC2=C(C=C1)C)C=O
InChI
InChI=1S/C14H14O/c1-3-11-5-4-10(2)13-7-6-12(9-15)14(13)8-11/h4-9H,3H2,1-2H3
InChIKey
XFHWXYVBANNUFH-UHFFFAOYSA-N
Compound name
7-ethyl-4-methylazulene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.10446 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.111736 140.2
[M+Na]+ 221.093678 149.2
[M-H]- 197.097184 146.9
[M+NH4]+ 216.138283 161.9
[M+K]+ 237.067618 149.2
[M+H-H2O]+ 181.101720 136.6
[M+HCOO]- 243.102661 164.7
[M+CH3COO]- 257.118311 189.5
[M+Na-2H]- 219.079126 145.2
[M]+ 198.10391142 141.5
[M]- 198.10500858 141.5
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