CID 3504625

10-hydroxy-3-methoxy-1,3,5,7-cadinatetraen-9-one

Structural Information

Molecular Formula
C16H20O3
SMILES
CC1=CC2=C(C=C1OC)C(C(=O)C=C2C(C)C)(C)O
InChI
InChI=1S/C16H20O3/c1-9(2)11-7-15(17)16(4,18)13-8-14(19-5)10(3)6-12(11)13/h6-9,18H,1-5H3
InChIKey
VMEKKHYIQYOLHA-UHFFFAOYSA-N
Compound name
1-hydroxy-7-methoxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.14124 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 157.1
[M+Na]+ 283.13046 167.0
[M-H]- 259.13396 161.3
[M+NH4]+ 278.17506 177.4
[M+K]+ 299.10440 164.1
[M+H-H2O]+ 243.13850 152.2
[M+HCOO]- 305.13944 176.0
[M+CH3COO]- 319.15509 199.3
[M+Na-2H]- 281.11591 160.2
[M]+ 260.14069 160.4
[M]- 260.14179 160.4
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

No patent data available for this compound.