CID 59739607

878204-45-6

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC1=C(C(=NO1)C2CC2)C=O
InChI
InChI=1S/C8H9NO2/c1-5-7(4-10)8(9-11-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKey
QQUPFUVMPFVZCE-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-methyl-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

151.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.7
[M+Na]+ 174.05254 142.6
[M-H]- 150.05604 138.3
[M+NH4]+ 169.09714 146.7
[M+K]+ 190.02648 140.9
[M+H-H2O]+ 134.06058 124.3
[M+HCOO]- 196.06152 154.8
[M+CH3COO]- 210.07717 178.5
[M+Na-2H]- 172.03799 136.8
[M]+ 151.06277 136.0
[M]- 151.06387 136.0
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