CID 204388

(1-methylpyrrolidin-2-yl)-diphenylmethanol

Structural Information

Molecular Formula
C18H21NO
SMILES
CN1CCCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3
InChIKey
XIJAGFLYYNXCAB-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-2-yl)-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

119
Patents

267.16232 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.8
[M+Na]+ 290.15154 168.8
[M-H]- 266.15504 170.3
[M+NH4]+ 285.19614 179.4
[M+K]+ 306.12548 163.8
[M+H-H2O]+ 250.15958 155.6
[M+HCOO]- 312.16052 182.0
[M+CH3COO]- 326.17617 174.5
[M+Na-2H]- 288.13699 167.1
[M]+ 267.16177 159.6
[M]- 267.16287 159.6
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