CID 5899815

2-[(e)-2-phenylethenyl]pyrrolidine

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC(NC1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6,8-9,12-13H,4,7,10H2/b9-8+
InChIKey
RQGQABZKJKPSSY-CMDGGOBGSA-N
Compound name
2-[(E)-2-phenylethenyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

173.12045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 139.8
[M+Na]+ 196.10967 145.1
[M-H]- 172.11317 142.9
[M+NH4]+ 191.15427 159.4
[M+K]+ 212.08361 140.8
[M+H-H2O]+ 156.11771 132.6
[M+HCOO]- 218.11865 160.2
[M+CH3COO]- 232.13430 151.7
[M+Na-2H]- 194.09512 143.9
[M]+ 173.11990 133.9
[M]- 173.12100 133.9
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