CID 53427962

2-methyl-1-[1-(3-methylbutoxy)ethoxy]butane

Structural Information

Molecular Formula
C12H26O2
SMILES
CCC(C)COC(C)OCCC(C)C
InChI
InChI=1S/C12H26O2/c1-6-11(4)9-14-12(5)13-8-7-10(2)3/h10-12H,6-9H2,1-5H3
InChIKey
YFTYPUAPXSHDMF-UHFFFAOYSA-N
Compound name
2-methyl-1-[1-(3-methylbutoxy)ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.19328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.20056 153.8
[M+Na]+ 225.18250 157.9
[M-H]- 201.18600 153.2
[M+NH4]+ 220.22710 173.1
[M+K]+ 241.15644 158.5
[M+H-H2O]+ 185.19054 148.4
[M+HCOO]- 247.19148 173.1
[M+CH3COO]- 261.20713 191.8
[M+Na-2H]- 223.16795 153.8
[M]+ 202.19273 158.3
[M]- 202.19383 158.3
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

No patent data available for this compound.