CID 11275168

4-(azetidin-1-yl)benzaldehyde

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CN(C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C10H11NO/c12-8-9-2-4-10(5-3-9)11-6-1-7-11/h2-5,8H,1,6-7H2
InChIKey
HXDXHWQUDGABHT-UHFFFAOYSA-N
Compound name
4-(azetidin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

161.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 128.6
[M+Na]+ 184.07328 135.5
[M-H]- 160.07678 133.9
[M+NH4]+ 179.11788 141.7
[M+K]+ 200.04722 136.3
[M+H-H2O]+ 144.08132 116.8
[M+HCOO]- 206.08226 150.4
[M+CH3COO]- 220.09791 180.9
[M+Na-2H]- 182.05873 135.7
[M]+ 161.08351 136.4
[M]- 161.08461 136.4
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