CID 545267

Propane, 2-methyl-1,1-bis(2-methylpropoxy)-

Structural Information

Molecular Formula
C12H26O2
SMILES
CC(C)COC(C(C)C)OCC(C)C
InChI
InChI=1S/C12H26O2/c1-9(2)7-13-12(11(5)6)14-8-10(3)4/h9-12H,7-8H2,1-6H3
InChIKey
PYLBPIIOEGWQSX-UHFFFAOYSA-N
Compound name
2-methyl-1,1-bis(2-methylpropoxy)propane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

202.19328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.20056 153.6
[M+Na]+ 225.18250 157.5
[M-H]- 201.18600 153.2
[M+NH4]+ 220.22710 172.9
[M+K]+ 241.15644 158.6
[M+H-H2O]+ 185.19054 148.3
[M+HCOO]- 247.19148 172.0
[M+CH3COO]- 261.20713 192.7
[M+Na-2H]- 223.16795 152.4
[M]+ 202.19273 157.5
[M]- 202.19383 157.5
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