CID 137404855

Schembl20637050

Structural Information

Molecular Formula
C9H22N2O2
SMILES
CC(COC(C)(C)OCC(C)N)N
InChI
InChI=1S/C9H22N2O2/c1-7(10)5-12-9(3,4)13-6-8(2)11/h7-8H,5-6,10-11H2,1-4H3
InChIKey
GCJPVWKSKGFEKE-UHFFFAOYSA-N
Compound name
1-[2-(2-aminopropoxy)propan-2-yloxy]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

190.16812 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.17540 147.7
[M+Na]+ 213.15734 151.9
[M-H]- 189.16084 146.6
[M+NH4]+ 208.20194 166.3
[M+K]+ 229.13128 152.4
[M+H-H2O]+ 173.16538 142.2
[M+HCOO]- 235.16632 168.2
[M+CH3COO]- 249.18197 190.8
[M+Na-2H]- 211.14279 149.6
[M]+ 190.16757 147.5
[M]- 190.16867 147.5
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.