CID 818199

55364-85-7

Structural Information

Molecular Formula
C9H12N2O2
SMILES
COC(=O)CCNC1=CC=CC=N1
InChI
InChI=1S/C9H12N2O2/c1-13-9(12)5-7-11-8-4-2-3-6-10-8/h2-4,6H,5,7H2,1H3,(H,10,11)
InChIKey
CKZDJCJSSSCYFN-UHFFFAOYSA-N
Compound name
methyl 3-(pyridin-2-ylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

180.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.0
[M+Na]+ 203.079088 144.5
[M-H]- 179.082594 140.1
[M+NH4]+ 198.123693 156.2
[M+K]+ 219.053028 143.3
[M+H-H2O]+ 163.087130 130.7
[M+HCOO]- 225.088071 162.0
[M+CH3COO]- 239.103721 182.1
[M+Na-2H]- 201.064536 145.4
[M]+ 180.08932142 139.1
[M]- 180.09041858 139.1
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

patents stripe