CID 11694649

(s)-2-(methoxydiphenylmethyl)pyrrolidine

Structural Information

Molecular Formula
C18H21NO
SMILES
COC([C@@H]1CCCN1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-20-18(17-13-8-14-19-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3/t17-/m0/s1
InChIKey
CGUGCZSRPDCLBT-KRWDZBQOSA-N
Compound name
(2S)-2-[methoxy(diphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

267.16232 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 163.8
[M+Na]+ 290.151538 167.7
[M-H]- 266.155044 169.8
[M+NH4]+ 285.196143 179.0
[M+K]+ 306.125478 162.8
[M+H-H2O]+ 250.159580 155.2
[M+HCOO]- 312.160521 181.9
[M+CH3COO]- 326.176171 174.0
[M+Na-2H]- 288.136986 167.7
[M]+ 267.16177142 159.1
[M]- 267.16286858 159.1
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