CID 14425929

{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}methanamine

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)CN
InChI
InChI=1S/C13H20N2O/c14-11-12-3-5-13(6-4-12)16-10-9-15-7-1-2-8-15/h3-6H,1-2,7-11,14H2
InChIKey
MZTRPMDTKZJSDX-UHFFFAOYSA-N
Compound name
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

220.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 151.2
[M+Na]+ 243.14678 156.0
[M-H]- 219.15028 155.2
[M+NH4]+ 238.19138 169.2
[M+K]+ 259.12072 153.0
[M+H-H2O]+ 203.15482 143.0
[M+HCOO]- 265.15576 173.1
[M+CH3COO]- 279.17141 189.6
[M+Na-2H]- 241.13223 154.0
[M]+ 220.15701 148.4
[M]- 220.15811 148.4
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