CID 3064683

Cyclopropanecarboxamide, 2-(aminomethyl)-1-phenyl-, monohydrochloride, cis-

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1[C@@H]([C@]1(C2=CC=CC=C2)C(=O)N)CN
InChI
InChI=1S/C11H14N2O/c12-7-9-6-11(9,10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H2,13,14)/t9-,11+/m1/s1
InChIKey
LMECNVOGESXMGV-KOLCDFICSA-N
Compound name
(1R,2S)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 137.9
[M+Na]+ 213.09983 146.5
[M-H]- 189.10333 144.9
[M+NH4]+ 208.14443 153.6
[M+K]+ 229.07377 143.5
[M+H-H2O]+ 173.10787 132.4
[M+HCOO]- 235.10881 162.3
[M+CH3COO]- 249.12446 190.1
[M+Na-2H]- 211.08528 143.7
[M]+ 190.11006 137.5
[M]- 190.11116 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.