CID 11277198

Ec 700-118-9

Structural Information

Molecular Formula
C16H28O3
SMILES
CC(C)/C=C(\C)/C(C)OC(C)(C)COC(=O)C1CC1
InChI
InChI=1S/C16H28O3/c1-11(2)9-12(3)13(4)19-16(5,6)10-18-15(17)14-7-8-14/h9,11,13-14H,7-8,10H2,1-6H3/b12-9+
InChIKey
ZYIJXTQXQNXPSH-FMIVXFBMSA-N
Compound name
[2-[(E)-3,5-dimethylhex-3-en-2-yl]oxy-2-methylpropyl] cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

266
Patents

268.20386 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.211136 164.4
[M+Na]+ 291.193078 169.7
[M-H]- 267.196584 168.0
[M+NH4]+ 286.237683 176.3
[M+K]+ 307.167018 167.8
[M+H-H2O]+ 251.201120 158.5
[M+HCOO]- 313.202061 181.3
[M+CH3COO]- 327.217711 204.5
[M+Na-2H]- 289.178526 163.4
[M]+ 268.20331142 170.5
[M]- 268.20440858 170.5
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