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]+ 204.174676 150.0
[M+Na]+ 226.156618 154.7
[M-H]- 202.160124 153.1
[M+NH4]+ 221.201223 168.6
[M+K]+ 242.130558 150.9
[M+H-H2O]+ 186.164660 142.7
[M+HCOO]- 248.165601 168.4
[M+CH3COO]- 262.181251 184.6
[M+Na-2H]- 224.142066 151.0
[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