CID 117495

2-propyl-2-diethylaminomethyl-1,3-propanediol

Structural Information

Molecular Formula
C9H21NO2
SMILES
CCCC(CN(C)C)(CO)CO
InChI
InChI=1S/C9H21NO2/c1-4-5-9(7-11,8-12)6-10(2)3/h11-12H,4-8H2,1-3H3
InChIKey
FGNBZUSQEHJNQG-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-2-propylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.15723 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.16451 142.0
[M+Na]+ 198.14645 149.6
[M+NH4]+ 193.19105 148.6
[M+K]+ 214.12039 145.7
[M-H]- 174.14995 140.4
[M+Na-2H]- 196.13190 144.1
[M]+ 175.15668 142.3
[M]- 175.15778 142.3
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

No patent data available for this compound.