CID 4279820

2-(4-tert-butylphenyl)pyrrolidine

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)(C)C1=CC=C(C=C1)C2CCCN2
InChI
InChI=1S/C14H21N/c1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h6-9,13,15H,4-5,10H2,1-3H3
InChIKey
JFBLTILAHRPXNP-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

203.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 149.8
[M+Na]+ 226.156618 155.4
[M-H]- 202.160124 153.3
[M+NH4]+ 221.201223 168.8
[M+K]+ 242.130558 151.6
[M+H-H2O]+ 186.164660 143.3
[M+HCOO]- 248.165601 167.8
[M+CH3COO]- 262.181251 183.5
[M+Na-2H]- 224.142066 152.9
[M]+ 203.16685142 145.3
[M]- 203.16794858 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

literature stripe

Patent stripe

patents stripe