CID 61157721

2137447-79-9

Structural Information

Molecular Formula
C9H16N2O3
SMILES
CC(C(=O)N1CCCC(C1)C(=O)O)N
InChI
InChI=1S/C9H16N2O3/c1-6(10)8(12)11-4-2-3-7(5-11)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKey
GWJKPCNDUDYTON-UHFFFAOYSA-N
Compound name
1-(2-aminopropanoyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.11609 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.12337 145.7
[M+Na]+ 223.10531 149.5
[M-H]- 199.10881 145.3
[M+NH4]+ 218.14991 161.9
[M+K]+ 239.07925 148.7
[M+H-H2O]+ 183.11335 139.3
[M+HCOO]- 245.11429 161.6
[M+CH3COO]- 259.12994 184.5
[M+Na-2H]- 221.09076 145.4
[M]+ 200.11554 139.5
[M]- 200.11664 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.