CID 65957552

3-[(azetidin-3-yl)amino]benzonitrile dihydrochloride

Structural Information

Molecular Formula
C10H11N3
SMILES
C1C(CN1)NC2=CC=CC(=C2)C#N
InChI
InChI=1S/C10H11N3/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10/h1-4,10,12-13H,6-7H2
InChIKey
FZWHLDQYIGVBKI-UHFFFAOYSA-N
Compound name
3-(azetidin-3-ylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.09529 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 143.3
[M+Na]+ 196.08451 150.5
[M+NH4]+ 191.12911 144.7
[M+K]+ 212.05845 142.7
[M-H]- 172.08801 137.0
[M+Na-2H]- 194.06996 145.6
[M]+ 173.09474 140.6
[M]- 173.09584 140.6
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.