CID 215447

35706-63-9

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC(C[N+]1(CCCC1)[O-])C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO2/c1-17(16-21(23)14-8-9-15-21)20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,22H,8-9,14-16H2,1H3
InChIKey
JUIPBANTMPTUJL-UHFFFAOYSA-N
Compound name
2-methyl-3-(1-oxidopyrrolidin-1-ium-1-yl)-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 175.7
[M+Na]+ 334.17776 178.2
[M-H]- 310.18126 180.4
[M+NH4]+ 329.22236 190.1
[M+K]+ 350.15170 168.5
[M+H-H2O]+ 294.18580 172.2
[M+HCOO]- 356.18674 191.2
[M+CH3COO]- 370.20239 191.5
[M+Na-2H]- 332.16321 180.4
[M]+ 311.18799 168.6
[M]- 311.18909 168.6
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.