CID 520284

5-diethylamino-1-pentanol

Structural Information

Molecular Formula
C9H21NO
SMILES
CCN(CC)CCCCCO
InChI
InChI=1S/C9H21NO/c1-3-10(4-2)8-6-5-7-9-11/h11H,3-9H2,1-2H3
InChIKey
RUQDFMATAGUGMU-UHFFFAOYSA-N
Compound name
5-(diethylamino)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

159.16231 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 140.5
[M+Na]+ 182.151528 145.4
[M-H]- 158.155034 140.3
[M+NH4]+ 177.196133 161.3
[M+K]+ 198.125468 145.3
[M+H-H2O]+ 142.159570 135.1
[M+HCOO]- 204.160511 163.6
[M+CH3COO]- 218.176161 183.9
[M+Na-2H]- 180.136976 144.9
[M]+ 159.16176142 142.9
[M]- 159.16285858 142.9
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