CID 6493749

4-(2-(pyrrolidin-1-yl)ethoxy)aniline

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)N
InChI
InChI=1S/C12H18N2O/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10,13H2
InChIKey
OTYZNDKWNPQQJP-UHFFFAOYSA-N
Compound name
4-(2-pyrrolidin-1-ylethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

524
Patents

206.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 146.7
[M+Na]+ 229.131118 152.0
[M-H]- 205.134624 150.9
[M+NH4]+ 224.175723 165.2
[M+K]+ 245.105058 149.2
[M+H-H2O]+ 189.139160 138.7
[M+HCOO]- 251.140101 169.0
[M+CH3COO]- 265.155751 186.6
[M+Na-2H]- 227.116566 150.0
[M]+ 206.14135142 143.5
[M]- 206.14244858 143.5
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