CID 469988

3-[2-[(2-hydroxy-1-methyl-propyl)amino]ethylamino]butan-2-ol

Structural Information

Molecular Formula
C10H24N2O2
SMILES
CC(C(C)O)NCCNC(C)C(C)O
InChI
InChI=1S/C10H24N2O2/c1-7(9(3)13)11-5-6-12-8(2)10(4)14/h7-14H,5-6H2,1-4H3
InChIKey
MCERRKGSGYESEK-UHFFFAOYSA-N
Compound name
3-[2-(3-hydroxybutan-2-ylamino)ethylamino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.18378 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19106 154.4
[M+Na]+ 227.17300 156.4
[M-H]- 203.17650 151.2
[M+NH4]+ 222.21760 171.2
[M+K]+ 243.14694 156.2
[M+H-H2O]+ 187.18104 148.5
[M+HCOO]- 249.18198 172.3
[M+CH3COO]- 263.19763 191.6
[M+Na-2H]- 225.15845 153.3
[M]+ 204.18323 151.9
[M]- 204.18433 151.9
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

No patent data available for this compound.