CID 40838

2-amino-2-phenylacetonitrile

Structural Information

Molecular Formula
C8H8N2
SMILES
C1=CC=C(C=C1)C(C#N)N
InChI
InChI=1S/C8H8N2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8H,10H2
InChIKey
JTIHSSVKTWPPHI-UHFFFAOYSA-N
Compound name
2-amino-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1082
Patents

132.06874 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 130.6
[M+Na]+ 155.057958 139.4
[M-H]- 131.061464 133.3
[M+NH4]+ 150.102563 149.6
[M+K]+ 171.031898 136.7
[M+H-H2O]+ 115.066000 118.4
[M+HCOO]- 177.066941 151.1
[M+CH3COO]- 191.082591 187.5
[M+Na-2H]- 153.043406 136.6
[M]+ 132.06819142 122.8
[M]- 132.06928858 122.8
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