CID 3775012

3-(2-phenylethyl)pyrrolidine

Structural Information

Molecular Formula
C12H17N
SMILES
C1CNCC1CCC2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h1-5,12-13H,6-10H2
InChIKey
GLZRMVTXAKDQMC-UHFFFAOYSA-N
Compound name
3-(2-phenylethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 140.5
[M+Na]+ 198.125318 145.4
[M-H]- 174.128824 143.5
[M+NH4]+ 193.169923 160.0
[M+K]+ 214.099258 141.7
[M+H-H2O]+ 158.133360 133.2
[M+HCOO]- 220.134301 160.7
[M+CH3COO]- 234.149951 152.3
[M+Na-2H]- 196.110766 144.6
[M]+ 175.13555142 135.4
[M]- 175.13664858 135.4
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