CID 83480231

1508191-80-7

Structural Information

Molecular Formula
C9H7NO2
SMILES
CC1=NOC2=C1C=CC(=C2)C=O
InChI
InChI=1S/C9H7NO2/c1-6-8-3-2-7(5-11)4-9(8)12-10-6/h2-5H,1H3
InChIKey
AOMVSPYBGOYMNK-UHFFFAOYSA-N
Compound name
3-methyl-1,2-benzoxazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.04768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 127.6
[M+Na]+ 184.03690 139.7
[M-H]- 160.04040 132.7
[M+NH4]+ 179.08150 149.3
[M+K]+ 200.01084 138.3
[M+H-H2O]+ 144.04494 122.0
[M+HCOO]- 206.04588 152.8
[M+CH3COO]- 220.06153 176.5
[M+Na-2H]- 182.02235 136.9
[M]+ 161.04713 132.6
[M]- 161.04823 132.6
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