CID 44630404

(s)-(-)-n-(5-nitro-2-pyridyl)prolinol

Structural Information

Molecular Formula
C10H13N3O3
SMILES
C1C[C@H](N(C1)C2=NC=C(C=C2)[N+](=O)[O-])CO
InChI
InChI=1S/C10H13N3O3/c14-7-9-2-1-5-12(9)10-4-3-8(6-11-10)13(15)16/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1
InChIKey
YBARIBJRNJYVTK-VIFPVBQESA-N
Compound name
[(2S)-1-(5-nitropyridin-2-yl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

223.09569 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10297 147.3
[M+Na]+ 246.08491 153.1
[M-H]- 222.08841 150.1
[M+NH4]+ 241.12951 162.8
[M+K]+ 262.05885 146.5
[M+H-H2O]+ 206.09295 143.8
[M+HCOO]- 268.09389 168.1
[M+CH3COO]- 282.10954 179.0
[M+Na-2H]- 244.07036 152.8
[M]+ 223.09514 142.8
[M]- 223.09624 142.8
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

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