CID 3083592

Lactarazulene

Structural Information

Molecular Formula
C15H16
SMILES
CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C
InChI
InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3
InChIKey
KFLXZUPIDNPCSD-UHFFFAOYSA-N
Compound name
1,4-dimethyl-7-prop-1-en-2-ylazulene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

196.1252 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13248 140.7
[M+Na]+ 219.11442 149.1
[M-H]- 195.11792 147.4
[M+NH4]+ 214.15902 162.5
[M+K]+ 235.08836 148.8
[M+H-H2O]+ 179.12246 137.3
[M+HCOO]- 241.12340 163.8
[M+CH3COO]- 255.13905 191.3
[M+Na-2H]- 217.09987 144.1
[M]+ 196.12465 140.4
[M]- 196.12575 140.4
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