CID 3057975

1-methyl-3-phenyl-3-propylpyrrolidine

Structural Information

Molecular Formula
C14H21N
SMILES
CCCC1(CCN(C1)C)C2=CC=CC=C2
InChI
InChI=1S/C14H21N/c1-3-9-14(10-11-15(2)12-14)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKey
KIOMVBQNULLWJJ-UHFFFAOYSA-N
Compound name
1-methyl-3-phenyl-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 148.3
[M+Na]+ 226.156618 154.8
[M-H]- 202.160124 153.2
[M+NH4]+ 221.201223 169.8
[M+K]+ 242.130558 151.6
[M+H-H2O]+ 186.164660 141.2
[M+HCOO]- 248.165601 169.4
[M+CH3COO]- 262.181251 186.0
[M+Na-2H]- 224.142066 152.1
[M]+ 203.16685142 146.4
[M]- 203.16794858 146.4
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

No patent data available for this compound.