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]+ 206.15395 148.2
[M+Na]+ 228.13589 153.5
[M-H]- 204.13939 151.4
[M+NH4]+ 223.18049 166.7
[M+K]+ 244.10983 150.0
[M+H-H2O]+ 188.14393 140.8
[M+HCOO]- 250.14487 168.2
[M+CH3COO]- 264.16052 182.8
[M+Na-2H]- 226.12134 151.0
[M]+ 205.14612 145.2
[M]- 205.14722 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