CID 44119605

1065073-44-0

Structural Information

Molecular Formula
C6H6N2O
SMILES
CC1=NC(=CO1)CC#N
InChI
InChI=1S/C6H6N2O/c1-5-8-6(2-3-7)4-9-5/h4H,2H2,1H3
InChIKey
WYPZNJNOPIFFMQ-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-oxazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

122.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 118.7
[M+Na]+ 145.03723 129.9
[M-H]- 121.04073 121.2
[M+NH4]+ 140.08183 138.1
[M+K]+ 161.01117 129.4
[M+H-H2O]+ 105.04527 105.9
[M+HCOO]- 167.04621 139.2
[M+CH3COO]- 181.06186 182.8
[M+Na-2H]- 143.02268 126.1
[M]+ 122.04746 115.8
[M]- 122.04856 115.8
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