CID 13859969

3-(propylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
CCCNCCC(=O)O
InChI
InChI=1S/C6H13NO2/c1-2-4-7-5-3-6(8)9/h7H,2-5H2,1H3,(H,8,9)
InChIKey
IRIOFUVLMGOLFE-UHFFFAOYSA-N
Compound name
3-(propylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21297
Patents

131.09464 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 128.2
[M+Na]+ 154.08386 136.6
[M+NH4]+ 149.12846 135.1
[M+K]+ 170.05780 132.1
[M-H]- 130.08736 127.0
[M+Na-2H]- 152.06931 130.9
[M]+ 131.09409 128.6
[M]- 131.09519 128.6
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

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