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]+ 205.133546 141.4
[M+Na]+ 227.115488 148.6
[M-H]- 203.118994 148.5
[M+NH4]+ 222.160093 154.9
[M+K]+ 243.089428 145.2
[M+H-H2O]+ 187.123530 134.7
[M+HCOO]- 249.124471 165.6
[M+CH3COO]- 263.140121 194.2
[M+Na-2H]- 225.100936 145.5
[M]+ 204.12572142 141.2
[M]- 204.12681858 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.