CID 66315

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

Structural Information

Molecular Formula
C8H19NO3
SMILES
CC(CN(CCO)CC(C)O)O
InChI
InChI=1S/C8H19NO3/c1-7(11)5-9(3-4-10)6-8(2)12/h7-8,10-12H,3-6H2,1-2H3
InChIKey
HHKUQCFQGCCLGA-UHFFFAOYSA-N
Compound name
1-[2-hydroxyethyl(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

706
Patents

177.13649 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14377 143.7
[M+Na]+ 200.12571 147.5
[M-H]- 176.12921 140.8
[M+NH4]+ 195.17031 161.9
[M+K]+ 216.09965 147.8
[M+H-H2O]+ 160.13375 138.4
[M+HCOO]- 222.13469 162.5
[M+CH3COO]- 236.15034 181.5
[M+Na-2H]- 198.11116 144.8
[M]+ 177.13594 143.3
[M]- 177.13704 143.3
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

patents stripe