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

8
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 128.8
[M+Na]+ 226.08386 134.5
[M-H]- 202.08736 136.3
[M+NH4]+ 221.12846 134.5
[M+K]+ 242.05780 139.0
[M+H-H2O]+ 186.09190 113.9
[M+HCOO]- 248.09284 146.6
[M+CH3COO]- 262.10849 195.8
[M+Na-2H]- 224.06931 136.8
[M]+ 203.09409 145.1
[M]- 203.09519 145.1
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