CID 58663766

3-(azetidin-1-yl)aniline

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CN(C1)C2=CC=CC(=C2)N
InChI
InChI=1S/C9H12N2/c10-8-3-1-4-9(7-8)11-5-2-6-11/h1,3-4,7H,2,5-6,10H2
InChIKey
DBZRTCGXPMDHKG-UHFFFAOYSA-N
Compound name
3-(azetidin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

148.10005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 129.6
[M+Na]+ 171.08927 137.7
[M+NH4]+ 166.13387 134.9
[M+K]+ 187.06321 133.1
[M-H]- 147.09277 131.0
[M+Na-2H]- 169.07472 135.5
[M]+ 148.09950 129.9
[M]- 148.10060 129.9
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