CID 16781697

1461714-62-4

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1=CC=NC(=C1)CNC(=O)CCN
InChI
InChI=1S/C9H13N3O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4-5,7,10H2,(H,12,13)
InChIKey
YNNPRPWYOWELRM-UHFFFAOYSA-N
Compound name
3-amino-N-(pyridin-2-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.0
[M+Na]+ 202.09509 144.7
[M-H]- 178.09859 140.5
[M+NH4]+ 197.13969 156.6
[M+K]+ 218.06903 142.6
[M+H-H2O]+ 162.10313 131.5
[M+HCOO]- 224.10407 163.1
[M+CH3COO]- 238.11972 184.4
[M+Na-2H]- 200.08054 145.6
[M]+ 179.10532 136.9
[M]- 179.10642 136.9
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

No patent data available for this compound.