CID 469973

2-[2-[amino-[1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol

Structural Information

Molecular Formula
C10H25N3O2
SMILES
CCC(CO)NCCN(C(CC)CO)N
InChI
InChI=1S/C10H25N3O2/c1-3-9(7-14)12-5-6-13(11)10(4-2)8-15/h9-10,12,14-15H,3-8,11H2,1-2H3
InChIKey
CRTYVGKCSPVYQP-UHFFFAOYSA-N
Compound name
2-[2-[amino(1-hydroxybutan-2-yl)amino]ethylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.19467 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20195 156.6
[M+Na]+ 242.18389 158.2
[M-H]- 218.18739 154.1
[M+NH4]+ 237.22849 172.8
[M+K]+ 258.15783 158.2
[M+H-H2O]+ 202.19193 149.7
[M+HCOO]- 264.19287 177.3
[M+CH3COO]- 278.20852 197.7
[M+Na-2H]- 240.16934 156.5
[M]+ 219.19412 154.7
[M]- 219.19522 154.7
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.