CID 83863035

4h,5h,6h,7h,8h-cyclohepta[d][1,2]oxazole-3-carbaldehyde

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CCC2=C(CC1)ON=C2C=O
InChI
InChI=1S/C9H11NO2/c11-6-8-7-4-2-1-3-5-9(7)12-10-8/h6H,1-5H2
InChIKey
PNZIQRJQJVZGQN-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 129.0
[M+Na]+ 188.068198 135.4
[M-H]- 164.071704 133.8
[M+NH4]+ 183.112803 148.4
[M+K]+ 204.042138 137.8
[M+H-H2O]+ 148.076240 123.5
[M+HCOO]- 210.077181 149.1
[M+CH3COO]- 224.092831 142.3
[M+Na-2H]- 186.053646 135.7
[M]+ 165.07843142 126.1
[M]- 165.07952858 126.1
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

No patent data available for this compound.