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]+ 176.164506 143.7
[M+Na]+ 198.146448 148.6
[M-H]- 174.149954 142.3
[M+NH4]+ 193.191053 163.2
[M+K]+ 214.120388 148.4
[M+H-H2O]+ 158.154490 139.0
[M+HCOO]- 220.155431 163.9
[M+CH3COO]- 234.171081 183.5
[M+Na-2H]- 196.131896 148.2
[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

No patent data available for this compound.