CID 12613538

16543-55-8

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1C[C@H](N(C1)N=O)C2=CN=CC=C2
InChI
InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1
InChIKey
XKABJYQDMJTNGQ-VIFPVBQESA-N
Compound name
3-[(2S)-1-nitrosopyrrolidin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

312
References

2268
Patents

177.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.6
[M+Na]+ 200.07943 142.9
[M-H]- 176.08293 140.8
[M+NH4]+ 195.12403 154.8
[M+K]+ 216.05337 141.4
[M+H-H2O]+ 160.08747 126.9
[M+HCOO]- 222.08841 159.9
[M+CH3COO]- 236.10406 182.7
[M+Na-2H]- 198.06488 141.9
[M]+ 177.08966 134.1
[M]- 177.09076 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe