CID 3039236

Diethanoldiaminoisopropanol

Structural Information

Molecular Formula
C7H18N2O3
SMILES
C(CO)NCC(CNCCO)O
InChI
InChI=1S/C7H18N2O3/c10-3-1-8-5-7(12)6-9-2-4-11/h7-12H,1-6H2
InChIKey
ISNLINDNKXJLCY-UHFFFAOYSA-N
Compound name
1,3-bis(2-hydroxyethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

178.13174 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.13902 140.1
[M+Na]+ 201.12096 145.3
[M+NH4]+ 196.16556 145.2
[M+K]+ 217.09490 142.4
[M-H]- 177.12446 137.6
[M+Na-2H]- 199.10641 140.7
[M]+ 178.13119 139.4
[M]- 178.13229 139.4
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