CID 139431924

4-{2-oxa-6-azaspiro[3.3]heptan-6-yl}benzaldehyde

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1C2(CN1C3=CC=C(C=C3)C=O)COC2
InChI
InChI=1S/C12H13NO2/c14-5-10-1-3-11(4-2-10)13-6-12(7-13)8-15-9-12/h1-5H,6-9H2
InChIKey
BUYAEEDNKXHJSB-UHFFFAOYSA-N
Compound name
4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

203.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 141.9
[M+Na]+ 226.08386 145.8
[M+NH4]+ 221.12846 143.7
[M+K]+ 242.05780 142.3
[M-H]- 202.08736 141.3
[M+Na-2H]- 224.06931 145.4
[M]+ 203.09409 140.2
[M]- 203.09519 140.2
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