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]+ 187.144106 144.2
[M+Na]+ 209.126048 147.9
[M-H]- 185.129554 143.6
[M+NH4]+ 204.170653 161.1
[M+K]+ 225.099988 146.7
[M+H-H2O]+ 169.134090 137.7
[M+HCOO]- 231.135031 160.6
[M+CH3COO]- 245.150681 182.8
[M+Na-2H]- 207.111496 145.0
[M]+ 186.13628142 137.9
[M]- 186.13737858 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