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

0
Patents

127.06333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 120.7
[M+Na]+ 150.05255 130.5
[M-H]- 126.05605 124.2
[M+NH4]+ 145.09715 144.3
[M+K]+ 166.02649 131.3
[M+H-H2O]+ 110.06059 116.2
[M+HCOO]- 172.06153 144.0
[M+CH3COO]- 186.07718 169.1
[M+Na-2H]- 148.03800 128.8
[M]+ 127.06278 122.8
[M]- 127.06388 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

No patent data available for this compound.