CID 62066692

3-[4-(propan-2-yl)phenyl]pyrrolidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)C1=CC=C(C=C1)C2CCNC2
InChI
InChI=1S/C13H19N/c1-10(2)11-3-5-12(6-4-11)13-7-8-14-9-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKey
IJSSFALYJPSPMS-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.4
[M+Na]+ 212.140968 150.5
[M-H]- 188.144474 148.7
[M+NH4]+ 207.185573 164.6
[M+K]+ 228.114908 147.0
[M+H-H2O]+ 172.149010 138.3
[M+HCOO]- 234.149951 164.2
[M+CH3COO]- 248.165601 181.6
[M+Na-2H]- 210.126416 147.0
[M]+ 189.15120142 140.4
[M]- 189.15229858 140.4
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

patents stripe