CID 22243246

[1-(2-phenylethyl)pyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CN(CC1CO)CCC2=CC=CC=C2
InChI
InChI=1S/C13H19NO/c15-11-13-7-9-14(10-13)8-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKey
GULYBIGMHOEZOG-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

205.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.2
[M+Na]+ 228.135888 153.5
[M-H]- 204.139394 151.4
[M+NH4]+ 223.180493 166.7
[M+K]+ 244.109828 150.0
[M+H-H2O]+ 188.143930 140.8
[M+HCOO]- 250.144871 168.2
[M+CH3COO]- 264.160521 182.8
[M+Na-2H]- 226.121336 151.0
[M]+ 205.14612142 145.2
[M]- 205.14721858 145.2
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