CID 4723822

2-{[(pyridin-2-yl)methyl]amino}acetonitrile

Structural Information

Molecular Formula
C8H9N3
SMILES
C1=CC=NC(=C1)CNCC#N
InChI
InChI=1S/C8H9N3/c9-4-6-10-7-8-3-1-2-5-11-8/h1-3,5,10H,6-7H2
InChIKey
CKBFMJVFVTZQSN-UHFFFAOYSA-N
Compound name
2-(pyridin-2-ylmethylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

147.07965 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 129.8
[M+Na]+ 170.06887 138.5
[M-H]- 146.07237 131.2
[M+NH4]+ 165.11347 147.2
[M+K]+ 186.04281 136.0
[M+H-H2O]+ 130.07691 116.3
[M+HCOO]- 192.07785 150.5
[M+CH3COO]- 206.09350 189.7
[M+Na-2H]- 168.05432 138.2
[M]+ 147.07910 123.9
[M]- 147.08020 123.9
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