CID 58578209

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

Structural Information

Molecular Formula
C14H21N
SMILES
CC(C)C1=CC=C(C=C1)CC2CCNC2
InChI
InChI=1S/C14H21N/c1-11(2)14-5-3-12(4-6-14)9-13-7-8-15-10-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKey
RRNIMSBTHHAONA-UHFFFAOYSA-N
Compound name
3-[(4-propan-2-ylphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 150.0
[M+Na]+ 226.15662 154.7
[M-H]- 202.16012 153.1
[M+NH4]+ 221.20122 168.6
[M+K]+ 242.13056 150.9
[M+H-H2O]+ 186.16466 142.7
[M+HCOO]- 248.16560 168.4
[M+CH3COO]- 262.18125 184.6
[M+Na-2H]- 224.14207 151.0
[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