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

23
Patents

148.10005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 128.9
[M+Na]+ 171.089268 135.0
[M-H]- 147.092774 133.6
[M+NH4]+ 166.133873 141.9
[M+K]+ 187.063208 135.7
[M+H-H2O]+ 131.097310 116.6
[M+HCOO]- 193.098251 150.9
[M+CH3COO]- 207.113901 180.8
[M+Na-2H]- 169.074716 135.5
[M]+ 148.09950142 133.9
[M]- 148.10059858 133.9
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