CID 65249519

4-(3-aminoazetidin-1-yl)benzonitrile

Structural Information

Molecular Formula
C10H11N3
SMILES
C1C(CN1C2=CC=C(C=C2)C#N)N
InChI
InChI=1S/C10H11N3/c11-5-8-1-3-10(4-2-8)13-6-9(12)7-13/h1-4,9H,6-7,12H2
InChIKey
OXZAZNRAUKLTRK-UHFFFAOYSA-N
Compound name
4-(3-aminoazetidin-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 134.3
[M+Na]+ 196.08451 142.1
[M-H]- 172.08801 138.1
[M+NH4]+ 191.12911 145.0
[M+K]+ 212.05845 143.0
[M+H-H2O]+ 156.09255 116.0
[M+HCOO]- 218.09349 152.2
[M+CH3COO]- 232.10914 197.6
[M+Na-2H]- 194.06996 139.2
[M]+ 173.09474 134.2
[M]- 173.09584 134.2
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.