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]+ 202.18016 151.7
[M+Na]+ 224.16210 155.8
[M-H]- 200.16560 151.1
[M+NH4]+ 219.20670 170.6
[M+K]+ 240.13604 155.4
[M+H-H2O]+ 184.17014 145.8
[M+HCOO]- 246.17108 173.5
[M+CH3COO]- 260.18673 191.8
[M+Na-2H]- 222.14755 153.7
[M]+ 201.17233 154.9
[M]- 201.17343 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.