CID 137139

6-methylazulene

Structural Information

Molecular Formula
C11H10
SMILES
CC1=CC=C2C=CC=C2C=C1
InChI
InChI=1S/C11H10/c1-9-5-7-10-3-2-4-11(10)8-6-9/h2-8H,1H3
InChIKey
ZEQVWDSVAGZQEU-UHFFFAOYSA-N
Compound name
6-methylazulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

142.07825 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.085526 125.2
[M+Na]+ 165.067468 133.6
[M-H]- 141.070974 131.7
[M+NH4]+ 160.112073 148.6
[M+K]+ 181.041408 134.0
[M+H-H2O]+ 125.075510 121.9
[M+HCOO]- 187.076451 150.4
[M+CH3COO]- 201.092101 140.2
[M+Na-2H]- 163.052916 133.1
[M]+ 142.07770142 124.1
[M]- 142.07879858 124.1
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