CID 23290221

2-(diethylamino)butanoic acid hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCC(C(=O)O)N(CC)CC
InChI
InChI=1S/C8H17NO2/c1-4-7(8(10)11)9(5-2)6-3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKey
WXZZJKVGEJBSJP-UHFFFAOYSA-N
Compound name
2-(diethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
Patents

159.12593 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 138.1
[M+Na]+ 182.11515 143.2
[M-H]- 158.11865 138.2
[M+NH4]+ 177.15975 158.6
[M+K]+ 198.08909 144.1
[M+H-H2O]+ 142.12319 132.9
[M+HCOO]- 204.12413 159.9
[M+CH3COO]- 218.13978 183.7
[M+Na-2H]- 180.10060 140.4
[M]+ 159.12538 139.5
[M]- 159.12648 139.5
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