CID 82328254

3-[pentyl(propyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C11H23NO2
SMILES
CCCCCN(CCC)CCC(=O)O
InChI
InChI=1S/C11H23NO2/c1-3-5-6-9-12(8-4-2)10-7-11(13)14/h3-10H2,1-2H3,(H,13,14)
InChIKey
DSBPRSJLVKJQCW-UHFFFAOYSA-N
Compound name
3-[pentyl(propyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.17288 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.180156 151.7
[M+Na]+ 224.162098 155.8
[M-H]- 200.165604 151.1
[M+NH4]+ 219.206703 170.6
[M+K]+ 240.136038 155.4
[M+H-H2O]+ 184.170140 145.8
[M+HCOO]- 246.171081 173.5
[M+CH3COO]- 260.186731 191.8
[M+Na-2H]- 222.147546 153.7
[M]+ 201.17233142 154.9
[M]- 201.17342858 154.9
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.