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

12
Patents

151.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 130.7
[M+Na]+ 174.052538 142.6
[M-H]- 150.056044 138.3
[M+NH4]+ 169.097143 146.7
[M+K]+ 190.026478 140.9
[M+H-H2O]+ 134.060580 124.3
[M+HCOO]- 196.061521 154.8
[M+CH3COO]- 210.077171 178.5
[M+Na-2H]- 172.037986 136.8
[M]+ 151.06277142 136.0
[M]- 151.06386858 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