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]+ 223.107726 148.2
[M+Na]+ 245.089668 153.7
[M-H]- 221.093174 152.2
[M+NH4]+ 240.134273 165.2
[M+K]+ 261.063608 146.9
[M+H-H2O]+ 205.097710 145.6
[M+HCOO]- 267.098651 170.0
[M+CH3COO]- 281.114301 179.2
[M+Na-2H]- 243.075116 153.0
[M]+ 222.09990142 143.6
[M]- 222.10099858 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.