CID 59751677

2-amino-3-(1-methylpiperidin-4-yl)propanoic acid

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CN1CCC(CC1)CC(C(=O)O)N
InChI
InChI=1S/C9H18N2O2/c1-11-4-2-7(3-5-11)6-8(10)9(12)13/h7-8H,2-6,10H2,1H3,(H,12,13)
InChIKey
XJJWNQGYMTZXFS-UHFFFAOYSA-N
Compound name
2-amino-3-(1-methylpiperidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

186.13683 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 144.2
[M+Na]+ 209.12605 147.9
[M-H]- 185.12955 143.6
[M+NH4]+ 204.17065 161.1
[M+K]+ 225.09999 146.7
[M+H-H2O]+ 169.13409 137.7
[M+HCOO]- 231.13503 160.6
[M+CH3COO]- 245.15068 182.8
[M+Na-2H]- 207.11150 145.0
[M]+ 186.13628 137.9
[M]- 186.13738 137.9
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

patents stripe