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
4
Annotation Hits

0
References

201
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 158.9
[M+Na]+ 261.18250 168.4
[M+NH4]+ 256.22710 166.2
[M+K]+ 277.15644 163.3
[M-H]- 237.18600 159.5
[M+Na-2H]- 259.16795 162.4
[M]+ 238.19273 160.3
[M]- 238.19383 160.3
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