CID 84649150

2,1-benzoxazole-6-carbaldehyde

Structural Information

Molecular Formula
C8H5NO2
SMILES
C1=CC2=CON=C2C=C1C=O
InChI
InChI=1S/C8H5NO2/c10-4-6-1-2-7-5-11-9-8(7)3-6/h1-5H
InChIKey
MPRDGIMHERSKBD-UHFFFAOYSA-N
Compound name
2,1-benzoxazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.03203 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.03931 122.9
[M+Na]+ 170.02125 134.6
[M-H]- 146.02475 127.8
[M+NH4]+ 165.06585 144.9
[M+K]+ 185.99519 133.4
[M+H-H2O]+ 130.02929 117.3
[M+HCOO]- 192.03023 148.5
[M+CH3COO]- 206.04588 139.0
[M+Na-2H]- 168.00670 133.5
[M]+ 147.03148 127.2
[M]- 147.03258 127.2
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

No patent data available for this compound.