CID 18525713

(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanamine

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1(CC2=C(O1)C(=CC=C2)CN)C
InChI
InChI=1S/C11H15NO/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5H,6-7,12H2,1-2H3
InChIKey
BQEPNISHAAOSFF-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

177.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.4
[M+Na]+ 200.10459 146.5
[M-H]- 176.10809 142.6
[M+NH4]+ 195.14919 161.1
[M+K]+ 216.07853 144.7
[M+H-H2O]+ 160.11263 132.8
[M+HCOO]- 222.11357 160.3
[M+CH3COO]- 236.12922 183.0
[M+Na-2H]- 198.09004 144.3
[M]+ 177.11482 137.5
[M]- 177.11592 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

No literature data available for this compound.

Patent stripe

patents stripe