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

120
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 140.6
[M+Na]+ 198.125318 145.7
[M-H]- 174.128824 145.1
[M+NH4]+ 193.169923 160.7
[M+K]+ 214.099258 143.3
[M+H-H2O]+ 158.133360 133.1
[M+HCOO]- 220.134301 161.3
[M+CH3COO]- 234.149951 180.2
[M+Na-2H]- 196.110766 143.9
[M]+ 175.13555142 136.7
[M]- 175.13664858 136.7
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