CID 137404850

Schembl20637045

Structural Information

Molecular Formula
C11H26N2O2
SMILES
CCC(COC(C)(C)OCC(CC)N)N
InChI
InChI=1S/C11H26N2O2/c1-5-9(12)7-14-11(3,4)15-8-10(13)6-2/h9-10H,5-8,12-13H2,1-4H3
InChIKey
RXGBXUQSNUIZCU-UHFFFAOYSA-N
Compound name
1-[2-(2-aminobutoxy)propan-2-yloxy]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

218.19943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.20671 156.9
[M+Na]+ 241.18865 160.2
[M-H]- 217.19215 155.4
[M+NH4]+ 236.23325 174.3
[M+K]+ 257.16259 160.2
[M+H-H2O]+ 201.19669 151.0
[M+HCOO]- 263.19763 176.7
[M+CH3COO]- 277.21328 196.8
[M+Na-2H]- 239.17410 157.7
[M]+ 218.19888 157.4
[M]- 218.19998 157.4
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.