CID 3022715

7-(1-ethoxyethoxy)-3,7-dimethyloctanal

Structural Information

Molecular Formula
C14H28O3
SMILES
CCOC(C)OC(C)(C)CCCC(C)CC=O
InChI
InChI=1S/C14H28O3/c1-6-16-13(3)17-14(4,5)10-7-8-12(2)9-11-15/h11-13H,6-10H2,1-5H3
InChIKey
WFYJZJGLGJDJFM-UHFFFAOYSA-N
Compound name
7-(1-ethoxyethoxy)-3,7-dimethyloctanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.20384 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.211116 163.1
[M+Na]+ 267.193058 167.3
[M-H]- 243.196564 162.4
[M+NH4]+ 262.237663 180.8
[M+K]+ 283.166998 167.2
[M+H-H2O]+ 227.201100 157.8
[M+HCOO]- 289.202041 181.7
[M+CH3COO]- 303.217691 198.3
[M+Na-2H]- 265.178506 164.3
[M]+ 244.20329142 169.4
[M]- 244.20438858 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.