CID 14634627

(-)-isolongifolol, acetate

Structural Information

Molecular Formula

C₁₇H₂₈O₂

SMILES

CC(=O)OCC1C2CCC3C2C(CCCC31C)(C)C

InChI

InChI=1S/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3

InChIKey

FWCPQBUXTSVEIC-UHFFFAOYSA-N

Compound name

(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)methyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.20892 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.216196	165.4
[M+Na]+	287.198138	170.6
[M-H]-	263.201644	170.3
[M+NH4]+	282.242743	190.4
[M+K]+	303.172078	168.1
[M+H-H2O]+	247.206180	162.0
[M+HCOO]-	309.207121	180.5
[M+CH3COO]-	323.222771	201.4
[M+Na-2H]-	285.183586	165.0
[M]+	264.20837142	162.7
[M]-	264.20946858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe