CID 22082179

Isobornyl 2-methylbutyrate

Structural Information

Molecular Formula
C15H26O2
SMILES
CCC(C)C(=O)OC1CC2CCC1(C2(C)C)C
InChI
InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3
InChIKey
CEVCMCWHMHJEQS-UHFFFAOYSA-N
Compound name
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

156
Patents

238.19328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 160.5
[M+Na]+ 261.182498 167.4
[M-H]- 237.186004 163.3
[M+NH4]+ 256.227103 187.6
[M+K]+ 277.156438 165.3
[M+H-H2O]+ 221.190540 157.9
[M+HCOO]- 283.191481 178.2
[M+CH3COO]- 297.207131 195.2
[M+Na-2H]- 259.167946 160.7
[M]+ 238.19273142 162.5
[M]- 238.19382858 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe