CID 21941696

3-[2-(pyrrolidin-1-yl)ethoxy]aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
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

No literature data available for this compound.

Patent stripe

patents stripe