CID 62430

N-tert-butyldiethanolamine

Structural Information

Molecular Formula
C8H19NO2
SMILES
CC(C)(C)N(CCO)CCO
InChI
InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3
InChIKey
XHJGXOOOMKCJPP-UHFFFAOYSA-N
Compound name
2-[tert-butyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

4117
Patents

161.14159 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.14887 139.3
[M+Na]+ 184.13081 144.7
[M-H]- 160.13431 138.1
[M+NH4]+ 179.17541 159.4
[M+K]+ 200.10475 144.8
[M+H-H2O]+ 144.13885 134.8
[M+HCOO]- 206.13979 159.9
[M+CH3COO]- 220.15544 179.8
[M+Na-2H]- 182.11626 144.4
[M]+ 161.14104 140.3
[M]- 161.14214 140.3
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