CID 23622

7215-04-5

Structural Information

Molecular Formula
C9H12N2
SMILES
C1C(CN1)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H12N2/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8,11H,5-6,10H2
InChIKey
WQYSQTBNUZIFNI-UHFFFAOYSA-N
Compound name
4-(azetidin-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

148.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.107326 130.3
[M+Na]+ 171.089268 136.0
[M-H]- 147.092774 133.7
[M+NH4]+ 166.133873 142.6
[M+K]+ 187.063208 135.8
[M+H-H2O]+ 131.097310 118.2
[M+HCOO]- 193.098251 150.8
[M+CH3COO]- 207.113901 178.3
[M+Na-2H]- 169.074716 136.3
[M]+ 148.09950142 133.4
[M]- 148.10059858 133.4
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