CID 16788670

N-[4-(1-aminoethyl)phenyl]cyclopropanecarboxamide

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(C1=CC=C(C=C1)NC(=O)C2CC2)N
InChI
InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)
InChIKey
CELFORIQAQLUCB-UHFFFAOYSA-N
Compound name
N-[4-(1-aminoethyl)phenyl]cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 141.4
[M+Na]+ 227.11549 148.6
[M-H]- 203.11899 148.5
[M+NH4]+ 222.16009 154.9
[M+K]+ 243.08943 145.2
[M+H-H2O]+ 187.12353 134.7
[M+HCOO]- 249.12447 165.6
[M+CH3COO]- 263.14012 194.2
[M+Na-2H]- 225.10094 145.5
[M]+ 204.12572 141.2
[M]- 204.12682 141.2
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.