CID 54592802

1270427-41-2

Structural Information

Molecular Formula
C12H13NO
SMILES
C1CC1C(C2=CC3=CC=CC=C3O2)N
InChI
InChI=1S/C12H13NO/c13-12(8-5-6-8)11-7-9-3-1-2-4-10(9)14-11/h1-4,7-8,12H,5-6,13H2
InChIKey
TYOXHAPCASBZJK-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl(cyclopropyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 134.4
[M+Na]+ 210.08894 144.8
[M-H]- 186.09244 143.5
[M+NH4]+ 205.13354 150.4
[M+K]+ 226.06288 142.0
[M+H-H2O]+ 170.09698 128.4
[M+HCOO]- 232.09792 159.0
[M+CH3COO]- 246.11357 148.7
[M+Na-2H]- 208.07439 141.7
[M]+ 187.09917 137.7
[M]- 187.10027 137.7
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.