CID 21098616

3-methyl-3-phenylpyrrolidine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1(CCNC1)C2=CC=CC=C2
InChI
InChI=1S/C11H15N/c1-11(7-8-12-9-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKey
FITWJEPAVCOKSH-UHFFFAOYSA-N
Compound name
3-methyl-3-phenylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

161.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.127726 136.1
[M+Na]+ 184.109668 142.5
[M-H]- 160.113174 139.8
[M+NH4]+ 179.154273 158.2
[M+K]+ 200.083608 139.2
[M+H-H2O]+ 144.117710 129.6
[M+HCOO]- 206.118651 156.7
[M+CH3COO]- 220.134301 148.8
[M+Na-2H]- 182.095116 141.7
[M]+ 161.11990142 130.9
[M]- 161.12099858 130.9
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