CID 9855700

(1-benzylpyrrolidin-2-yl)methanamine

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CC(N(C1)CC2=CC=CC=C2)CN
InChI
InChI=1S/C12H18N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2
InChIKey
OEYAFMGVIFWPQI-UHFFFAOYSA-N
Compound name
(1-benzylpyrrolidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

190.147 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 144.8
[M+Na]+ 213.13622 155.9
[M+NH4]+ 208.18082 153.9
[M+K]+ 229.11016 150.4
[M-H]- 189.13972 148.9
[M+Na-2H]- 211.12167 151.9
[M]+ 190.14645 147.4
[M]- 190.14755 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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