CID 484425

Ybeyttfrlvmpki-laubaehrsa-n

Structural Information

Molecular Formula
C21H30O2
SMILES
CC(C)C1=C(C(=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)C=O)O
InChI
InChI=1S/C21H30O2/c1-13(2)18-15-7-8-17-20(3,4)9-6-10-21(17,5)16(15)11-14(12-22)19(18)23/h11-13,17,23H,6-10H2,1-5H3/t17-,21+/m0/s1
InChIKey
YBEYTTFRLVMPKI-LAUBAEHRSA-N
Compound name
(4bS,8aS)-2-hydroxy-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.22458 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.231856 176.3
[M+Na]+ 337.213798 183.3
[M-H]- 313.217304 179.7
[M+NH4]+ 332.258403 196.9
[M+K]+ 353.187738 178.6
[M+H-H2O]+ 297.221840 170.3
[M+HCOO]- 359.222781 188.3
[M+CH3COO]- 373.238431 210.7
[M+Na-2H]- 335.199246 177.6
[M]+ 314.22403142 174.4
[M]- 314.22512858 174.4
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.