CID 164512230

Ns00040234

Structural Information

Molecular Formula
C18H30O2
SMILES
CCC(=O)OC1CC23CC(C1C)C(C2CC[C@H]3C)(C)C
InChI
InChI=1S/C18H30O2/c1-6-16(19)20-14-10-18-9-13(12(14)3)17(4,5)15(18)8-7-11(18)2/h11-15H,6-10H2,1-5H3/t11-,12?,13?,14?,15?,18?/m1/s1
InChIKey
VJHOUDVWZXUGCF-NSVFZLEXSA-N
Compound name
[(2R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undecanyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 170.2
[M+Na]+ 301.213798 176.9
[M-H]- 277.217304 174.2
[M+NH4]+ 296.258403 196.7
[M+K]+ 317.187738 173.2
[M+H-H2O]+ 261.221840 166.8
[M+HCOO]- 323.222781 185.0
[M+CH3COO]- 337.238431 203.8
[M+Na-2H]- 299.199246 168.9
[M]+ 278.22403142 170.4
[M]- 278.22512858 170.4
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.