CID 4712478

[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

174
Patents

190.147 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 143.7
[M+Na]+ 213.13622 149.1
[M-H]- 189.13972 147.9
[M+NH4]+ 208.18082 163.0
[M+K]+ 229.11016 145.8
[M+H-H2O]+ 173.14426 135.9
[M+HCOO]- 235.14520 165.8
[M+CH3COO]- 249.16085 184.5
[M+Na-2H]- 211.12167 147.0
[M]+ 190.14645 139.1
[M]- 190.14755 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