CID 53429261

Dtxsid90700103

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1CNCC1C2=CC=NO2
InChI
InChI=1S/C7H10N2O/c1-3-8-5-6(1)7-2-4-9-10-7/h2,4,6,8H,1,3,5H2
InChIKey
ZQCMJHCSXCMVNR-UHFFFAOYSA-N
Compound name
5-pyrrolidin-3-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

138.07932 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 126.7
[M+Na]+ 161.068538 133.6
[M-H]- 137.072044 129.7
[M+NH4]+ 156.113143 146.7
[M+K]+ 177.042478 133.1
[M+H-H2O]+ 121.076580 119.7
[M+HCOO]- 183.077521 147.2
[M+CH3COO]- 197.093171 140.0
[M+Na-2H]- 159.053986 131.4
[M]+ 138.07877142 123.2
[M]- 138.07986858 123.2
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

patents stripe