CID 108435

3-(dipropylamino)propane-1,2-diol

Structural Information

Molecular Formula
C9H21NO2
SMILES
CCCN(CCC)CC(CO)O
InChI
InChI=1S/C9H21NO2/c1-3-5-10(6-4-2)7-9(12)8-11/h9,11-12H,3-8H2,1-2H3
InChIKey
CTSOJEIWXYRSEM-UHFFFAOYSA-N
Compound name
3-(dipropylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

383
Patents

175.15723 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.164506 144.6
[M+Na]+ 198.146448 148.8
[M-H]- 174.149954 143.0
[M+NH4]+ 193.191053 163.9
[M+K]+ 214.120388 148.7
[M+H-H2O]+ 158.154490 139.2
[M+HCOO]- 220.155431 165.4
[M+CH3COO]- 234.171081 184.1
[M+Na-2H]- 196.131896 147.1
[M]+ 175.15668142 145.8
[M]- 175.15777858 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe