CID 77131484

2-(3-tert-butylphenyl)pyrrolidine

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)(C)C1=CC=CC(=C1)C2CCCN2
InChI
InChI=1S/C14H21N/c1-14(2,3)12-7-4-6-11(10-12)13-8-5-9-15-13/h4,6-7,10,13,15H,5,8-9H2,1-3H3
InChIKey
VQHRPNGNLUOSMW-UHFFFAOYSA-N
Compound name
2-(3-tert-butylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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

No literature data available for this compound.

Patent stripe

patents stripe