CID 24755532

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

Structural Information

Molecular Formula
C19H32O
SMILES
CC(COC)C1=C2[C@@]3(CC[C@@H](C3)C2(C)C)C(CC1)(C)C
InChI
InChI=1S/C19H32O/c1-13(12-20-6)15-8-9-17(2,3)19-10-7-14(11-19)18(4,5)16(15)19/h13-14H,7-12H2,1-6H3/t13?,14-,19-/m0/s1
InChIKey
OATGSVTXJNCBBR-YYVQVQHNSA-N
Compound name
(1R,8S)-5-(1-methoxypropan-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

0
Patents

276.24533 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 170.2
[M+Na]+ 299.23455 177.4
[M-H]- 275.23805 174.3
[M+NH4]+ 294.27915 198.5
[M+K]+ 315.20849 173.2
[M+H-H2O]+ 259.24259 166.4
[M+HCOO]- 321.24353 185.8
[M+CH3COO]- 335.25918 204.4
[M+Na-2H]- 297.22000 170.7
[M]+ 276.24478 171.5
[M]- 276.24588 171.5
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.