CID 30829

Dibutanolamine

Structural Information

Molecular Formula
C8H19NO2
SMILES
CCC(CNCC(CC)O)O
InChI
InChI=1S/C8H19NO2/c1-3-7(10)5-9-6-8(11)4-2/h7-11H,3-6H2,1-2H3
InChIKey
KQIXMZWXFFHRAQ-UHFFFAOYSA-N
Compound name
1-(2-hydroxybutylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2406
Patents

161.14159 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.148866 140.6
[M+Na]+ 184.130808 144.8
[M-H]- 160.134314 137.7
[M+NH4]+ 179.175413 159.7
[M+K]+ 200.104748 144.0
[M+H-H2O]+ 144.138850 135.6
[M+HCOO]- 206.139791 160.2
[M+CH3COO]- 220.155441 178.5
[M+Na-2H]- 182.116256 143.0
[M]+ 161.14104142 139.5
[M]- 161.14213858 139.5
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