CID 162873560

(7s)-7-isopropenyl-1,4-dimethyl-3,6,7,8-tetrahydroazulene-2,5-dione

Structural Information

Molecular Formula
C15H18O2
SMILES
CC1=C2C[C@@H](CC(=O)C(=C2CC1=O)C)C(=C)C
InChI
InChI=1S/C15H18O2/c1-8(2)11-5-12-9(3)15(17)7-13(12)10(4)14(16)6-11/h11H,1,5-7H2,2-4H3/t11-/m0/s1
InChIKey
UYMHDKPGFDYSRZ-NSHDSACASA-N
Compound name
(7S)-1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 146.9
[M+Na]+ 253.11990 154.4
[M-H]- 229.12340 153.2
[M+NH4]+ 248.16450 167.4
[M+K]+ 269.09384 154.6
[M+H-H2O]+ 213.12794 143.6
[M+HCOO]- 275.12888 166.5
[M+CH3COO]- 289.14453 196.7
[M+Na-2H]- 251.10535 146.5
[M]+ 230.13013 144.6
[M]- 230.13123 144.6
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.