CID 70713

2-methyl-2-oxazoline

Structural Information

Molecular Formula
C4H7NO
SMILES
CC1=NCCO1
InChI
InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3
InChIKey
GUXJXWKCUUWCLX-UHFFFAOYSA-N
Compound name
2-methyl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

5730
Patents

85.052765 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 112.9
[M+Na]+ 108.04198 124.7
[M+NH4]+ 103.08659 122.1
[M+K]+ 124.01592 121.3
[M-H]- 84.045489 115.3
[M+Na-2H]- 106.02743 118.8
[M]+ 85.052216 115.2
[M]- 85.053314 115.2
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