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

172
Patents

262.147 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 169.0
[M+Na]+ 285.136218 176.1
[M-H]- 261.139724 173.0
[M+NH4]+ 280.180823 182.5
[M+K]+ 301.110158 167.6
[M+H-H2O]+ 245.144260 153.7
[M+HCOO]- 307.145201 183.4
[M+CH3COO]- 321.160851 177.4
[M+Na-2H]- 283.121666 171.7
[M]+ 262.14645142 158.0
[M]- 262.14754858 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