CID 15715623

Ns00097348

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1=CC(=O)C2[C@@]([C@H]1CC[C@@](C)(C=C)O)(CCCC2(C)C)C
InChI
InChI=1S/C20H32O2/c1-7-19(5,22)12-9-15-14(2)13-16(21)17-18(3,4)10-8-11-20(15,17)6/h7,13,15,17,22H,1,8-12H2,2-6H3/t15-,17?,19+,20+/m0/s1
InChIKey
SGKBPTZDIUXCMW-BCMWCWJPSA-N
Compound name
(4S,4aR)-4-[(3S)-3-hydroxy-3-methylpent-4-enyl]-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-4H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.24023 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 173.5
[M+Na]+ 327.229448 179.7
[M-H]- 303.232954 175.8
[M+NH4]+ 322.274053 193.7
[M+K]+ 343.203388 175.5
[M+H-H2O]+ 287.237490 169.4
[M+HCOO]- 349.238431 186.0
[M+CH3COO]- 363.254081 207.5
[M+Na-2H]- 325.214896 175.8
[M]+ 304.23968142 171.9
[M]- 304.24077858 171.9
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.