CID 45078992

4-(azetidin-1-yl)aniline

Structural Information

Molecular Formula
C9H12N2
SMILES
C1CN(C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H12N2/c10-8-2-4-9(5-3-8)11-6-1-7-11/h2-5H,1,6-7,10H2
InChIKey
UWVKFAPNLNOQOF-UHFFFAOYSA-N
Compound name
4-(azetidin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
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 128.9
[M+Na]+ 171.08927 135.0
[M-H]- 147.09277 133.6
[M+NH4]+ 166.13387 141.9
[M+K]+ 187.06321 135.7
[M+H-H2O]+ 131.09731 116.6
[M+HCOO]- 193.09825 150.9
[M+CH3COO]- 207.11390 180.8
[M+Na-2H]- 169.07472 135.5
[M]+ 148.09950 133.9
[M]- 148.10060 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