CID 379845

Nsc664977

Structural Information

Molecular Formula
C7H10N2O
SMILES
C=C1CN(C1)C2=NCCO2
InChI
InChI=1S/C7H10N2O/c1-6-4-9(5-6)7-8-2-3-10-7/h1-5H2
InChIKey
RKVBMQAVJSPNFZ-UHFFFAOYSA-N
Compound name
2-(3-methylideneazetidin-1-yl)-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.07932 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 121.2
[M+Na]+ 161.06854 128.0
[M-H]- 137.07204 125.7
[M+NH4]+ 156.11314 134.4
[M+K]+ 177.04248 130.8
[M+H-H2O]+ 121.07658 109.8
[M+HCOO]- 183.07752 141.0
[M+CH3COO]- 197.09317 174.5
[M+Na-2H]- 159.05399 127.1
[M]+ 138.07877 128.2
[M]- 138.07987 128.2
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.