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]+ 190.15903 145.4
[M+Na]+ 212.14097 150.5
[M-H]- 188.14447 148.7
[M+NH4]+ 207.18557 164.6
[M+K]+ 228.11491 147.0
[M+H-H2O]+ 172.14901 138.3
[M+HCOO]- 234.14995 164.2
[M+CH3COO]- 248.16560 181.6
[M+Na-2H]- 210.12642 147.0
[M]+ 189.15120 140.4
[M]- 189.15230 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