CID 3057972

74332-82-4

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C12H17N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKey
UWBGXRMEQVITBS-UHFFFAOYSA-N
Compound name
1-(1-phenylethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 141.5
[M+Na]+ 198.12532 153.4
[M+NH4]+ 193.16992 151.1
[M+K]+ 214.09926 147.8
[M-H]- 174.12882 145.3
[M+Na-2H]- 196.11077 149.2
[M]+ 175.13555 144.2
[M]- 175.13665 144.2
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

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