CID 24755533

5-(2-methoxyethyl)isolongifol-5-ene

Structural Information

Molecular Formula
C18H30O
SMILES
CC1(CCC(=C2[C@@]13CC[C@@H](C3)C2(C)C)CCOC)C
InChI
InChI=1S/C18H30O/c1-16(2)9-6-13(8-11-19-5)15-17(3,4)14-7-10-18(15,16)12-14/h14H,6-12H2,1-5H3/t14-,18-/m0/s1
InChIKey
MNCVNIHMEDMSII-KSSFIOAISA-N
Compound name
(1R,8S)-5-(2-methoxyethyl)-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

262.22968 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 165.2
[M+Na]+ 285.21890 173.3
[M-H]- 261.22240 169.6
[M+NH4]+ 280.26350 194.2
[M+K]+ 301.19284 168.7
[M+H-H2O]+ 245.22694 161.3
[M+HCOO]- 307.22788 182.3
[M+CH3COO]- 321.24353 200.7
[M+Na-2H]- 283.20435 167.4
[M]+ 262.22913 166.9
[M]- 262.23023 166.9
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.