CID 22026053

N-[2-(pyrrolidin-1-yl)ethyl]aniline

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CCN(C1)CCNC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-2-6-12(7-3-1)13-8-11-14-9-4-5-10-14/h1-3,6-7,13H,4-5,8-11H2
InChIKey
NOJMAMCOSWQCTO-UHFFFAOYSA-N
Compound name
N-(2-pyrrolidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

190.147 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 143.1
[M+Na]+ 213.13622 147.5
[M-H]- 189.13972 147.4
[M+NH4]+ 208.18082 162.3
[M+K]+ 229.11016 144.6
[M+H-H2O]+ 173.14426 135.0
[M+HCOO]- 235.14520 165.8
[M+CH3COO]- 249.16085 184.1
[M+Na-2H]- 211.12167 148.1
[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