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

338
Patents

175.15723 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.16451 145.2
[M+Na]+ 198.14645 149.0
[M-H]- 174.14995 143.8
[M+NH4]+ 193.19105 164.4
[M+K]+ 214.12039 149.9
[M+H-H2O]+ 158.15449 140.0
[M+HCOO]- 220.15543 164.0
[M+CH3COO]- 234.17108 186.0
[M+Na-2H]- 196.13190 145.1
[M]+ 175.15668 145.1
[M]- 175.15778 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