CID 44630404

88374-37-2

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

77
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 146.7
[M+Na]+ 246.08491 158.3
[M+NH4]+ 241.12951 153.7
[M+K]+ 262.05885 157.6
[M-H]- 222.08841 149.4
[M+Na-2H]- 244.07036 152.2
[M]+ 223.09514 148.7
[M]- 223.09624 148.7
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