CID 165430266

110259-75-1

Structural Information

Molecular Formula

C₁₈H₂₄O₃

SMILES

CC1([C@@H]2CCC1(C(C2OC=O)OCC3=CC=CC=C3)C)C

InChI

InChI=1S/C18H24O3/c1-17(2)14-9-10-18(17,3)16(15(14)21-12-19)20-11-13-7-5-4-6-8-13/h4-8,12,14-16H,9-11H2,1-3H3/t14-,15?,16?,18?/m1/s1

InChIKey

RLHWKPHEDMEOHF-XOGYLQAWSA-N

Compound name

[(1S)-4,7,7-trimethyl-3-phenylmethoxy-2-bicyclo[2.2.1]heptanyl] formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.17255 Da
Monoisotopic Mass: 4.0
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]+	289.179826	168.8
[M+Na]+	311.161768	177.2
[M-H]-	287.165274	175.2
[M+NH4]+	306.206373	193.9
[M+K]+	327.135708	173.4
[M+H-H2O]+	271.169810	164.0
[M+HCOO]-	333.170751	189.4
[M+CH3COO]-	347.186401	201.7
[M+Na-2H]-	309.147216	171.2
[M]+	288.17200142	172.7
[M]-	288.17309858	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.