CID 4962854

4-(pyrrolidin-1-ylmethyl)benzylamine

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CCN(C1)CC2=CC=C(C=C2)CN
InChI
InChI=1S/C12H18N2/c13-9-11-3-5-12(6-4-11)10-14-7-1-2-8-14/h3-6H,1-2,7-10,13H2
InChIKey
XSJFYCYUKSAOIY-UHFFFAOYSA-N
Compound name
[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

133
Patents

190.147 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.154276 143.7
[M+Na]+ 213.136218 149.1
[M-H]- 189.139724 147.9
[M+NH4]+ 208.180823 163.0
[M+K]+ 229.110158 145.8
[M+H-H2O]+ 173.144260 135.9
[M+HCOO]- 235.145201 165.8
[M+CH3COO]- 249.160851 184.5
[M+Na-2H]- 211.121666 147.0
[M]+ 190.14645142 139.1
[M]- 190.14754858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe