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]+ 152.070596 130.7
[M+Na]+ 174.052538 142.4
[M-H]- 150.056044 138.4
[M+NH4]+ 169.097143 148.3
[M+K]+ 190.026478 141.8
[M+H-H2O]+ 134.060580 125.1
[M+HCOO]- 196.061521 154.5
[M+CH3COO]- 210.077171 176.9
[M+Na-2H]- 172.037986 138.6
[M]+ 151.06277142 136.1
[M]- 151.06386858 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.