CID 15089038

86477-05-6

Structural Information

Molecular Formula
C5H7N2O2
SMILES
C1CC2=[N+](C1)NOC2=O
InChI
InChI=1S/C5H6N2O2/c8-5-4-2-1-3-7(4)6-9-5/h1-3H2/p+1
InChIKey
QIRHBUZYRQSEBZ-UHFFFAOYSA-O
Compound name
1,4,5,6-tetrahydropyrrolo[1,2-c]oxadiazol-7-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

127.05075 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05803 120.4
[M+Na]+ 150.03997 130.3
[M-H]- 126.04347 122.4
[M+NH4]+ 145.08457 142.2
[M+K]+ 166.01391 124.4
[M+H-H2O]+ 110.04801 117.6
[M+HCOO]- 172.04895 141.5
[M+CH3COO]- 186.06460 157.9
[M+Na-2H]- 148.02542 129.8
[M]+ 127.05020 118.7
[M]- 127.05130 118.7
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