CID 24755567

5-(1-methoxybutan-2-yl)isolongifol-5-ene

Structural Information

Molecular Formula
C20H34O
SMILES
CCC(COC)C1=C2[C@@]3(CC[C@@H](C3)C2(C)C)C(CC1)(C)C
InChI
InChI=1S/C20H34O/c1-7-14(13-21-6)16-9-10-18(2,3)20-11-8-15(12-20)19(4,5)17(16)20/h14-15H,7-13H2,1-6H3/t14?,15-,20-/m0/s1
InChIKey
VLTVWKKPNYFSMO-NEYBVYDXSA-N
Compound name
(1R,8S)-5-(1-methoxybutan-2-yl)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.26096 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 174.7
[M+Na]+ 313.25018 181.5
[M-H]- 289.25368 178.6
[M+NH4]+ 308.29478 202.5
[M+K]+ 329.22412 177.1
[M+H-H2O]+ 273.25822 170.8
[M+HCOO]- 335.25916 189.9
[M+CH3COO]- 349.27481 207.4
[M+Na-2H]- 311.23563 174.7
[M]+ 290.26041 176.3
[M]- 290.26151 176.3
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

patents stripe