CID 574994

Einecs 288-442-2

Structural Information

Molecular Formula
C9H21NO2
SMILES
CC(C)N(CC(CO)O)C(C)C
InChI
InChI=1S/C9H21NO2/c1-7(2)10(8(3)4)5-9(12)6-11/h7-9,11-12H,5-6H2,1-4H3
InChIKey
OYYXNGVBOWXTPN-UHFFFAOYSA-N
Compound name
3-[di(propan-2-yl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

492
Patents

175.15723 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.164506 145.2
[M+Na]+ 198.146448 149.0
[M-H]- 174.149954 143.8
[M+NH4]+ 193.191053 164.4
[M+K]+ 214.120388 149.9
[M+H-H2O]+ 158.154490 140.0
[M+HCOO]- 220.155431 164.0
[M+CH3COO]- 234.171081 186.0
[M+Na-2H]- 196.131896 145.1
[M]+ 175.15668142 145.1
[M]- 175.15777858 145.1
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