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

17
Patents

161.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 128.6
[M+Na]+ 184.073278 135.5
[M-H]- 160.076784 133.9
[M+NH4]+ 179.117883 141.7
[M+K]+ 200.047218 136.3
[M+H-H2O]+ 144.081320 116.8
[M+HCOO]- 206.082261 150.4
[M+CH3COO]- 220.097911 180.9
[M+Na-2H]- 182.058726 135.7
[M]+ 161.08351142 136.4
[M]- 161.08460858 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