CID 585911

Alpha-terpinyl isovalerate

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1=CCC(CC1)C(C)(C)OC(=O)CC(C)C
InChI
InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3
InChIKey
XRADSECIALQFFY-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

204
Patents

238.19328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 158.6
[M+Na]+ 261.18250 162.7
[M-H]- 237.18600 161.3
[M+NH4]+ 256.22710 176.5
[M+K]+ 277.15644 161.7
[M+H-H2O]+ 221.19054 153.1
[M+HCOO]- 283.19148 175.5
[M+CH3COO]- 297.20713 195.9
[M+Na-2H]- 259.16795 159.5
[M]+ 238.19273 158.7
[M]- 238.19383 158.7
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