CID 66466214

2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C16H25N
SMILES
CC1(CCCN1)CC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C16H25N/c1-15(2,3)14-8-6-13(7-9-14)12-16(4)10-5-11-17-16/h6-9,17H,5,10-12H2,1-4H3
InChIKey
XSFMVZNRSNRPCV-UHFFFAOYSA-N
Compound name
2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 158.2
[M+Na]+ 254.18792 163.9
[M-H]- 230.19142 161.7
[M+NH4]+ 249.23252 178.1
[M+K]+ 270.16186 159.8
[M+H-H2O]+ 214.19596 151.9
[M+HCOO]- 276.19690 175.5
[M+CH3COO]- 290.21255 189.1
[M+Na-2H]- 252.17337 161.3
[M]+ 231.19815 154.7
[M]- 231.19925 154.7
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

No patent data available for this compound.