CID 31001

Dtxsid50944849

Structural Information

Molecular Formula
C10H24N2O2
SMILES
C(CCO)CNCCNCCCCO
InChI
InChI=1S/C10H24N2O2/c13-9-3-1-5-11-7-8-12-6-2-4-10-14/h11-14H,1-10H2
InChIKey
WSLPUXWJTSNFGB-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxybutylamino)ethylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

204.18378 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.191056 150.0
[M+Na]+ 227.172998 152.8
[M-H]- 203.176504 146.4
[M+NH4]+ 222.217603 167.0
[M+K]+ 243.146938 150.6
[M+H-H2O]+ 187.181040 143.8
[M+HCOO]- 249.181981 171.9
[M+CH3COO]- 263.197631 187.9
[M+Na-2H]- 225.158446 154.4
[M]+ 204.18323142 150.2
[M]- 204.18432858 150.2
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