CID 102278699

1138325-48-0

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1(CC(=NO1)C=O)C
InChI
InChI=1S/C6H9NO2/c1-6(2)3-5(4-8)7-9-6/h4H,3H2,1-2H3
InChIKey
NNNAREWPWWCHLO-UHFFFAOYSA-N
Compound name
5,5-dimethyl-4H-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

127.06333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 120.7
[M+Na]+ 150.052548 130.5
[M-H]- 126.056054 124.2
[M+NH4]+ 145.097153 144.3
[M+K]+ 166.026488 131.3
[M+H-H2O]+ 110.060590 116.2
[M+HCOO]- 172.061531 144.0
[M+CH3COO]- 186.077181 169.1
[M+Na-2H]- 148.037996 128.8
[M]+ 127.06278142 122.8
[M]- 127.06387858 122.8
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