CID 470096

(2s)-2-[3-[[(1r)-1-(hydroxymethyl)propyl]amino]propylamino]butan-1-ol

Structural Information

Molecular Formula
C11H26N2O2
SMILES
CC[C@H](CO)NCCCN[C@@H](CC)CO
InChI
InChI=1S/C11H26N2O2/c1-3-10(8-14)12-6-5-7-13-11(4-2)9-15/h10-15H,3-9H2,1-2H3/t10-,11+
InChIKey
XYVQJSNDVKVJBX-PHIMTYICSA-N
Compound name
(2R)-2-[3-[[(2S)-1-hydroxybutan-2-yl]amino]propylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.19943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.206706 157.3
[M+Na]+ 241.188648 159.2
[M-H]- 217.192154 153.7
[M+NH4]+ 236.233253 173.6
[M+K]+ 257.162588 157.7
[M+H-H2O]+ 201.196690 151.0
[M+HCOO]- 263.197631 176.8
[M+CH3COO]- 277.213281 192.7
[M+Na-2H]- 239.174096 158.3
[M]+ 218.19888142 156.4
[M]- 218.19997858 156.4
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.