CID 522673

Terpinyl isobutyrate

Structural Information

Molecular Formula
C14H24O2
SMILES
CC1=CCC(CC1)C(C)(C)OC(=O)C(C)C
InChI
InChI=1S/C14H24O2/c1-10(2)13(15)16-14(4,5)12-8-6-11(3)7-9-12/h6,10,12H,7-9H2,1-5H3
InChIKey
SMQUXKIIXFOJKI-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

191
Patents

224.17763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 154.5
[M+Na]+ 247.16685 164.1
[M+NH4]+ 242.21145 162.0
[M+K]+ 263.14079 159.3
[M-H]- 223.17035 155.1
[M+Na-2H]- 245.15230 158.2
[M]+ 224.17708 155.9
[M]- 224.17818 155.9
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