CID 3057963

1-(1-phenylpropyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
CCC(C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C13H19N/c1-2-13(14-10-6-7-11-14)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKey
CNCVMCNGUPWUSW-UHFFFAOYSA-N
Compound name
1-(1-phenylpropyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

189.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.3
[M+Na]+ 212.14097 149.9
[M-H]- 188.14447 149.6
[M+NH4]+ 207.18557 164.8
[M+K]+ 228.11491 147.3
[M+H-H2O]+ 172.14901 137.6
[M+HCOO]- 234.14995 165.6
[M+CH3COO]- 248.16560 183.2
[M+Na-2H]- 210.12642 148.0
[M]+ 189.15120 141.7
[M]- 189.15230 141.7
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