CID 14543199

3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,7-tetrahydro-1h-azulen-6-one

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=C2CCC(C2CC(=C(C)C)C(=O)C1)(C)O
InChI
InChI=1S/C15H22O2/c1-9(2)12-8-13-11(5-6-15(13,4)17)10(3)7-14(12)16/h13,17H,5-8H2,1-4H3
InChIKey
DAUDFKSHOYLOOB-UHFFFAOYSA-N
Compound name
3-hydroxy-3,8-dimethyl-5-propan-2-ylidene-2,3a,4,7-tetrahydro-1H-azulen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 150.9
[M+Na]+ 257.151208 156.8
[M-H]- 233.154714 155.4
[M+NH4]+ 252.195813 172.2
[M+K]+ 273.125148 156.4
[M+H-H2O]+ 217.159250 147.8
[M+HCOO]- 279.160191 167.4
[M+CH3COO]- 293.175841 193.2
[M+Na-2H]- 255.136656 150.8
[M]+ 234.16144142 145.8
[M]- 234.16253858 145.8
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.