CID 3057982

1-(1-p-tolylbutyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C15H23N
SMILES
CCCC(C1=CC=C(C=C1)C)N2CCCC2
InChI
InChI=1S/C15H23N/c1-3-6-15(16-11-4-5-12-16)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
ZHOMQXZTRNCOPV-UHFFFAOYSA-N
Compound name
1-[1-(4-methylphenyl)butyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 154.1
[M+Na]+ 240.17226 158.8
[M-H]- 216.17576 158.5
[M+NH4]+ 235.21686 172.8
[M+K]+ 256.14620 155.7
[M+H-H2O]+ 200.18030 146.3
[M+HCOO]- 262.18124 173.7
[M+CH3COO]- 276.19689 190.3
[M+Na-2H]- 238.15771 155.0
[M]+ 217.18249 151.7
[M]- 217.18359 151.7
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