CID 15682841

143112-52-1

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1CN(C[C@H]1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
InChI
InChI=1S/C10H11N5O3/c11-6-3-4-14(5-6)7-1-2-8(15(16)17)10-9(7)12-18-13-10/h1-2,6H,3-5,11H2/t6-/m0/s1
InChIKey
QSDDQXROWUJAJX-LURJTMIESA-N
Compound name
(3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.08618 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09346 148.7
[M+Na]+ 272.07540 160.5
[M+NH4]+ 267.12000 155.4
[M+K]+ 288.04934 162.9
[M-H]- 248.07890 153.0
[M+Na-2H]- 270.06085 153.4
[M]+ 249.08563 151.1
[M]- 249.08673 151.1
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