CID 16776177

2-[4-(2-aminoethyl)phenoxy]-n-cyclopropylacetamide

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CC1NC(=O)COC2=CC=C(C=C2)CCN
InChI
InChI=1S/C13H18N2O2/c14-8-7-10-1-5-12(6-2-10)17-9-13(16)15-11-3-4-11/h1-2,5-6,11H,3-4,7-9,14H2,(H,15,16)
InChIKey
BPRBSUMDCCOQNH-UHFFFAOYSA-N
Compound name
2-[4-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 149.2
[M+Na]+ 257.12605 156.1
[M-H]- 233.12955 155.9
[M+NH4]+ 252.17065 161.5
[M+K]+ 273.09999 152.4
[M+H-H2O]+ 217.13409 141.9
[M+HCOO]- 279.13503 174.1
[M+CH3COO]- 293.15068 198.3
[M+Na-2H]- 255.11150 153.9
[M]+ 234.13628 151.2
[M]- 234.13738 151.2
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

No patent data available for this compound.