CID 170335

1,1,3-triethoxy-3-methylpentane

Structural Information

Molecular Formula
C12H26O3
SMILES
CCC(C)(CC(OCC)OCC)OCC
InChI
InChI=1S/C12H26O3/c1-6-12(5,15-9-4)10-11(13-7-2)14-8-3/h11H,6-10H2,1-5H3
InChIKey
RQRQTICYTFCEHX-UHFFFAOYSA-N
Compound name
1,1,3-triethoxy-3-methylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.19548 155.7
[M+Na]+ 241.17742 160.7
[M-H]- 217.18092 155.3
[M+NH4]+ 236.22202 174.6
[M+K]+ 257.15136 161.2
[M+H-H2O]+ 201.18546 150.6
[M+HCOO]- 263.18640 175.8
[M+CH3COO]- 277.20205 192.4
[M+Na-2H]- 239.16287 159.1
[M]+ 218.18765 162.6
[M]- 218.18875 162.6
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.