CID 131751862

5,6-dihydrochamazulene

Structural Information

Molecular Formula
C14H18
SMILES
CCC1=CCC(C2=CC=C(C2=C1)C)C
InChI
InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h6-10H,4-5H2,1-3H3
InChIKey
WSGOYZPQRKZDIY-UHFFFAOYSA-N
Compound name
7-ethyl-1,4-dimethyl-4,5-dihydroazulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.14085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14813 138.9
[M+Na]+ 209.13007 146.7
[M-H]- 185.13357 145.2
[M+NH4]+ 204.17467 161.0
[M+K]+ 225.10401 146.7
[M+H-H2O]+ 169.13811 135.3
[M+HCOO]- 231.13905 161.7
[M+CH3COO]- 245.15470 188.8
[M+Na-2H]- 207.11552 142.9
[M]+ 186.14030 138.0
[M]- 186.14140 138.0
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

No patent data available for this compound.