CID 137698836

2138106-74-6

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1(CC1)C2=CC(=NO2)C=O
InChI
InChI=1S/C8H9NO2/c1-8(2-3-8)7-4-6(5-10)9-11-7/h4-5H,2-3H2,1H3
InChIKey
MFWCCNHIXMJOFR-UHFFFAOYSA-N
Compound name
5-(1-methylcyclopropyl)-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.7
[M+Na]+ 174.05254 142.4
[M-H]- 150.05604 138.4
[M+NH4]+ 169.09714 148.3
[M+K]+ 190.02648 141.8
[M+H-H2O]+ 134.06058 125.1
[M+HCOO]- 196.06152 154.5
[M+CH3COO]- 210.07717 176.9
[M+Na-2H]- 172.03799 138.6
[M]+ 151.06277 136.1
[M]- 151.06387 136.1
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.