CID 13681226

3-methyl-4-(propan-2-yl)-2,5-dihydro-1,2-oxazol-5-one

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC1=C(C(=O)ON1)C(C)C
InChI
InChI=1S/C7H11NO2/c1-4(2)6-5(3)8-10-7(6)9/h4,8H,1-3H3
InChIKey
HBNVJFGCLQCKJO-UHFFFAOYSA-N
Compound name
3-methyl-4-propan-2-yl-2H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 126.7
[M+Na]+ 164.06820 136.4
[M-H]- 140.07170 129.1
[M+NH4]+ 159.11280 147.3
[M+K]+ 180.04214 135.9
[M+H-H2O]+ 124.07624 121.6
[M+HCOO]- 186.07718 148.5
[M+CH3COO]- 200.09283 171.7
[M+Na-2H]- 162.05365 131.4
[M]+ 141.07843 128.1
[M]- 141.07953 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe