CID 11447382

88422-19-9

Structural Information

Molecular Formula
C11H14N2O3
SMILES
C1C[C@H](N(C1)C2=CC=C(C=C2)[N+](=O)[O-])CO
InChI
InChI=1S/C11H14N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1
InChIKey
HCVBBVTZZJFVLA-NSHDSACASA-N
Compound name
[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

429
Patents

222.10045 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe