CID 22842833

Ec 421-810-4

Structural Information

Molecular Formula
C18H18N2
SMILES
C1CNC[C@@H]1C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2/c19-14-18(17-11-12-20-13-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20H,11-13H2/t17-/m1/s1
InChIKey
AQQVYYRHEMSRRM-QGZVFWFLSA-N
Compound name
2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

262.147 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 169.0
[M+Na]+ 285.13622 176.1
[M-H]- 261.13972 173.0
[M+NH4]+ 280.18082 182.5
[M+K]+ 301.11016 167.6
[M+H-H2O]+ 245.14426 153.7
[M+HCOO]- 307.14520 183.4
[M+CH3COO]- 321.16085 177.4
[M+Na-2H]- 283.12167 171.7
[M]+ 262.14645 158.0
[M]- 262.14755 158.0
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

patents stripe