CID 79074

3-(diethylamino)-1,2-propanediol

Structural Information

Molecular Formula
C7H17NO2
SMILES
CCN(CC)CC(CO)O
InChI
InChI=1S/C7H17NO2/c1-3-8(4-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3
InChIKey
LTACQVCHVAUOKN-UHFFFAOYSA-N
Compound name
3-(diethylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

2515
Patents

147.12593 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.13321 135.4
[M+Na]+ 170.11515 140.4
[M-H]- 146.11865 134.1
[M+NH4]+ 165.15975 155.8
[M+K]+ 186.08909 140.8
[M+H-H2O]+ 130.12319 130.4
[M+HCOO]- 192.12413 156.8
[M+CH3COO]- 206.13978 178.0
[M+Na-2H]- 168.10060 138.9
[M]+ 147.12538 135.8
[M]- 147.12648 135.9
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