CID 24755568

4,5-(methanoxy-2-methylethano)isolongifol-4-ene

Structural Information

Molecular Formula
C19H30O
SMILES
CC1COCC2=C1C3[C@@]4(CC[C@@H](C4)C3(C)C)C(C2)(C)C
InChI
InChI=1S/C19H30O/c1-12-10-20-11-13-8-17(2,3)19-7-6-14(9-19)18(4,5)16(19)15(12)13/h12,14,16H,6-11H2,1-5H3/t12?,14-,16?,19-/m0/s1
InChIKey
WORODHPCRUJQIA-UJZFSRJTSA-N
Compound name
(1S,12S)-2,2,8,11,11-pentamethyl-6-oxatetracyclo[10.2.1.01,10.04,9]pentadec-4(9)-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.22968 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23696 166.8
[M+Na]+ 297.21890 174.8
[M-H]- 273.22240 172.3
[M+NH4]+ 292.26350 194.9
[M+K]+ 313.19284 170.3
[M+H-H2O]+ 257.22694 162.2
[M+HCOO]- 319.22788 179.2
[M+CH3COO]- 333.24353 178.4
[M+Na-2H]- 295.20435 168.6
[M]+ 274.22913 165.4
[M]- 274.23023 165.4
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.