CID 45122674

(5-methyl-1-benzofuran-2-yl)methanamine

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=CC2=C(C=C1)OC(=C2)CN
InChI
InChI=1S/C10H11NO/c1-7-2-3-10-8(4-7)5-9(6-11)12-10/h2-5H,6,11H2,1H3
InChIKey
LNHJWZLDJYOZGC-UHFFFAOYSA-N
Compound name
(5-methyl-1-benzofuran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

161.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 130.8
[M+Na]+ 184.07328 141.4
[M-H]- 160.07678 136.6
[M+NH4]+ 179.11788 153.3
[M+K]+ 200.04722 139.4
[M+H-H2O]+ 144.08132 125.7
[M+HCOO]- 206.08226 156.9
[M+CH3COO]- 220.09791 179.8
[M+Na-2H]- 182.05873 139.0
[M]+ 161.08351 133.2
[M]- 161.08461 133.2
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

patents stripe