CID 77726

1-phenylpyrrolidine

Structural Information

Molecular Formula
C10H13N
SMILES
C1CCN(C1)C2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2
InChIKey
VDQQJMHXZCMNMU-UHFFFAOYSA-N
Compound name
1-phenylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3730
Patents

147.1048 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 130.8
[M+Na]+ 170.09402 137.1
[M-H]- 146.09752 135.6
[M+NH4]+ 165.13862 152.2
[M+K]+ 186.06796 134.8
[M+H-H2O]+ 130.10206 123.7
[M+HCOO]- 192.10300 153.2
[M+CH3COO]- 206.11865 144.2
[M+Na-2H]- 168.07947 136.5
[M]+ 147.10425 126.9
[M]- 147.10535 126.9
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