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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 168.8
[M+Na]+ 311.16177 177.2
[M-H]- 287.16527 175.2
[M+NH4]+ 306.20637 193.9
[M+K]+ 327.13571 173.4
[M+H-H2O]+ 271.16981 164.0
[M+HCOO]- 333.17075 189.4
[M+CH3COO]- 347.18640 201.7
[M+Na-2H]- 309.14722 171.2
[M]+ 288.17200 172.7
[M]- 288.17310 172.7
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.