CID 14211241

1-benzyl-4-methylpyrrolidin-3-amine

Structural Information

Molecular Formula
C12H18N2
SMILES
CC1CN(CC1N)CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-10-7-14(9-12(10)13)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
InChIKey
NFZIZQCPMPUVFT-UHFFFAOYSA-N
Compound name
1-benzyl-4-methylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

190.147 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.154276 143.8
[M+Na]+ 213.136218 150.2
[M-H]- 189.139724 148.5
[M+NH4]+ 208.180823 163.4
[M+K]+ 229.110158 146.8
[M+H-H2O]+ 173.144260 136.4
[M+HCOO]- 235.145201 165.9
[M+CH3COO]- 249.160851 185.6
[M+Na-2H]- 211.121666 146.4
[M]+ 190.14645142 139.7
[M]- 190.14754858 139.7
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