CID 68197250

3-(3-tert-butylphenyl)pyrrolidine

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)(C)C1=CC=CC(=C1)C2CCNC2
InChI
InChI=1S/C14H21N/c1-14(2,3)13-6-4-5-11(9-13)12-7-8-15-10-12/h4-6,9,12,15H,7-8,10H2,1-3H3
InChIKey
PZQVLTNTQSGAEG-UHFFFAOYSA-N
Compound name
3-(3-tert-butylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

203.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 149.8
[M+Na]+ 226.15662 155.4
[M-H]- 202.16012 153.3
[M+NH4]+ 221.20122 168.8
[M+K]+ 242.13056 151.6
[M+H-H2O]+ 186.16466 143.3
[M+HCOO]- 248.16560 167.8
[M+CH3COO]- 262.18125 183.5
[M+Na-2H]- 224.14207 152.9
[M]+ 203.16685 145.3
[M]- 203.16795 145.3
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