CID 71756885

2-(1-benzyl-5-methylpyrrolidin-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C14H22N2
SMILES
CC1CC(CN1CC2=CC=CC=C2)CCN
InChI
InChI=1S/C14H22N2/c1-12-9-14(7-8-15)11-16(12)10-13-5-3-2-4-6-13/h2-6,12,14H,7-11,15H2,1H3
InChIKey
MNHIPMWKEKKGBU-UHFFFAOYSA-N
Compound name
2-(1-benzyl-5-methylpyrrolidin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 152.9
[M+Na]+ 241.167518 158.4
[M-H]- 217.171024 157.2
[M+NH4]+ 236.212123 171.4
[M+K]+ 257.141458 154.5
[M+H-H2O]+ 201.175560 145.1
[M+HCOO]- 263.176501 174.3
[M+CH3COO]- 277.192151 191.7
[M+Na-2H]- 239.152966 154.4
[M]+ 218.17775142 149.4
[M]- 218.17884858 149.4
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.