CID 45083859

1-methyl-2-oxoazepane-3-carbaldehyde

Structural Information

Molecular Formula
C8H13NO2
SMILES
CN1CCCCC(C1=O)C=O
InChI
InChI=1S/C8H13NO2/c1-9-5-3-2-4-7(6-10)8(9)11/h6-7H,2-5H2,1H3
InChIKey
HSPAARAHYPTIRW-UHFFFAOYSA-N
Compound name
1-methyl-2-oxoazepane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 130.3
[M+Na]+ 178.08386 139.3
[M+NH4]+ 173.12846 137.2
[M+K]+ 194.05780 135.7
[M-H]- 154.08736 130.6
[M+Na-2H]- 176.06931 134.6
[M]+ 155.09409 131.4
[M]- 155.09519 131.4
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

No patent data available for this compound.