CID 109295

4,7,10-triazatridecane-2,12-diol

Structural Information

Molecular Formula
C10H25N3O2
SMILES
CC(CNCCNCCNCC(C)O)O
InChI
InChI=1S/C10H25N3O2/c1-9(14)7-12-5-3-11-4-6-13-8-10(2)15/h9-15H,3-8H2,1-2H3
InChIKey
NZUBVRAELACYSL-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

219.19467 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.20195 155.2
[M+Na]+ 242.18389 156.6
[M-H]- 218.18739 151.7
[M+NH4]+ 237.22849 171.0
[M+K]+ 258.15783 155.5
[M+H-H2O]+ 202.19193 148.4
[M+HCOO]- 264.19287 176.0
[M+CH3COO]- 278.20852 195.0
[M+Na-2H]- 240.16934 157.1
[M]+ 219.19412 153.1
[M]- 219.19522 153.1
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

patents stripe