CID 470081

1-propanol, 2,2'-[1,2-ethanediylbis(imino)]bis-

Structural Information

Molecular Formula
C8H20N2O2
SMILES
CC(CO)NCCNC(C)CO
InChI
InChI=1S/C8H20N2O2/c1-7(5-11)9-3-4-10-8(2)6-12/h7-12H,3-6H2,1-2H3
InChIKey
OKECRAQEHRBANL-UHFFFAOYSA-N
Compound name
2-[2-(1-hydroxypropan-2-ylamino)ethylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

176.15248 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.15976 143.9
[M+Na]+ 199.14170 147.1
[M-H]- 175.14520 140.9
[M+NH4]+ 194.18630 161.9
[M+K]+ 215.11564 146.4
[M+H-H2O]+ 159.14974 138.2
[M+HCOO]- 221.15068 164.4
[M+CH3COO]- 235.16633 183.6
[M+Na-2H]- 197.12715 146.5
[M]+ 176.15193 141.9
[M]- 176.15303 141.9
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.