CID 64115346

(3s)-1-[(3-nitrophenyl)methyl]pyrrolidin-3-ol

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1CN(C[C@H]1O)CC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O3/c14-11-4-5-12(8-11)7-9-2-1-3-10(6-9)13(15)16/h1-3,6,11,14H,4-5,7-8H2/t11-/m0/s1
InChIKey
LKEWGWDXLPFRKT-NSHDSACASA-N
Compound name
(3S)-1-[(3-nitrophenyl)methyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.2
[M+Na]+ 245.08967 153.7
[M-H]- 221.09317 152.2
[M+NH4]+ 240.13427 165.2
[M+K]+ 261.06361 146.9
[M+H-H2O]+ 205.09771 145.6
[M+HCOO]- 267.09865 170.0
[M+CH3COO]- 281.11430 179.2
[M+Na-2H]- 243.07512 153.0
[M]+ 222.09990 143.6
[M]- 222.10100 143.6
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

No patent data available for this compound.