CID 471653

2-[2-[1-(ethoxymethyl)propylamino]ethylamino]butan-1-ol

Structural Information

Molecular Formula
C12H28N2O2
SMILES
CCC(CO)NCCNC(CC)COCC
InChI
InChI=1S/C12H28N2O2/c1-4-11(9-15)13-7-8-14-12(5-2)10-16-6-3/h11-15H,4-10H2,1-3H3
InChIKey
WTCRGYSCFSZHMT-UHFFFAOYSA-N
Compound name
2-[2-(1-ethoxybutan-2-ylamino)ethylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.21507 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22235 161.6
[M+Na]+ 255.20429 163.5
[M-H]- 231.20779 159.2
[M+NH4]+ 250.24889 178.1
[M+K]+ 271.17823 162.7
[M+H-H2O]+ 215.21233 154.9
[M+HCOO]- 277.21327 182.3
[M+CH3COO]- 291.22892 198.2
[M+Na-2H]- 253.18974 162.7
[M]+ 232.21452 163.0
[M]- 232.21562 163.0
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.