CID 96736213

2839143-96-1

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=COC2=C(C=CC=C12)CN
InChI
InChI=1S/C10H11NO/c1-7-6-12-10-8(5-11)3-2-4-9(7)10/h2-4,6H,5,11H2,1H3
InChIKey
AJRVHJFZUKIGTM-UHFFFAOYSA-N
Compound name
(3-methyl-1-benzofuran-7-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 130.8
[M+Na]+ 184.073278 141.4
[M-H]- 160.076784 136.6
[M+NH4]+ 179.117883 153.3
[M+K]+ 200.047218 139.4
[M+H-H2O]+ 144.081320 125.7
[M+HCOO]- 206.082261 156.9
[M+CH3COO]- 220.097911 179.8
[M+Na-2H]- 182.058726 139.0
[M]+ 161.08351142 133.2
[M]- 161.08460858 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

No patent data available for this compound.