CID 22684149

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

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1CCN(C1)CCOC2=CC=C(C=C2)CCN
InChI
InChI=1S/C14H22N2O/c15-8-7-13-3-5-14(6-4-13)17-12-11-16-9-1-2-10-16/h3-6H,1-2,7-12,15H2
InChIKey
OSURFVDXQNXRKP-UHFFFAOYSA-N
Compound name
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

234.17322 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 155.7
[M+Na]+ 257.16244 160.1
[M-H]- 233.16594 159.5
[M+NH4]+ 252.20704 173.1
[M+K]+ 273.13638 156.8
[M+H-H2O]+ 217.17048 147.3
[M+HCOO]- 279.17142 177.3
[M+CH3COO]- 293.18707 192.6
[M+Na-2H]- 255.14789 157.9
[M]+ 234.17267 153.2
[M]- 234.17377 153.2
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