CID 15682841

(s)-(+)-4-(3-amino-pyrrolidino)-7-nitrobenzofurazan

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 149.2
[M+Na]+ 272.07540 157.3
[M-H]- 248.07890 154.4
[M+NH4]+ 267.12000 164.1
[M+K]+ 288.04934 151.4
[M+H-H2O]+ 232.08344 145.4
[M+HCOO]- 294.08438 171.6
[M+CH3COO]- 308.10003 187.7
[M+Na-2H]- 270.06085 156.5
[M]+ 249.08563 147.4
[M]- 249.08673 147.4
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