CID 23002459

Schembl4899672

Structural Information

Molecular Formula
C16H18N
SMILES
C1CC[N+](C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H18N/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2/q+1
InChIKey
MYZVHIGLMORFEO-UHFFFAOYSA-N
Compound name
1,1-diphenylpyrrolidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.14392 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.151196 153.3
[M+Na]+ 247.133138 159.0
[M-H]- 223.136644 161.3
[M+NH4]+ 242.177743 172.9
[M+K]+ 263.107078 148.9
[M+H-H2O]+ 207.141180 147.3
[M+HCOO]- 269.142121 174.6
[M+CH3COO]- 283.157771 180.6
[M+Na-2H]- 245.118586 160.7
[M]+ 224.14337142 147.5
[M]- 224.14446858 147.5
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