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
(2S)-2-[3-[[(2R)-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]+ 219.20671 157.3
[M+Na]+ 241.18865 159.2
[M-H]- 217.19215 153.7
[M+NH4]+ 236.23325 173.6
[M+K]+ 257.16259 157.7
[M+H-H2O]+ 201.19669 151.0
[M+HCOO]- 263.19763 176.8
[M+CH3COO]- 277.21328 192.7
[M+Na-2H]- 239.17410 158.3
[M]+ 218.19888 156.4
[M]- 218.19998 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.