CID 103011

3-sec-butylsydnone

Structural Information

Molecular Formula
C6H11N2O2
SMILES
CCC(C)[N+]1=CC(=O)ON1
InChI
InChI=1S/C6H10N2O2/c1-3-5(2)8-4-6(9)10-7-8/h4-5H,3H2,1-2H3/p+1
InChIKey
SHJLCCKPLRBXKH-UHFFFAOYSA-O
Compound name
3-butan-2-yl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.08205 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08933 127.0
[M+Na]+ 166.07127 136.1
[M-H]- 142.07477 128.0
[M+NH4]+ 161.11587 145.6
[M+K]+ 182.04521 130.5
[M+H-H2O]+ 126.07931 123.5
[M+HCOO]- 188.08025 147.6
[M+CH3COO]- 202.09590 163.4
[M+Na-2H]- 164.05672 135.3
[M]+ 143.08150 126.8
[M]- 143.08260 126.8
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

No patent data available for this compound.