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

38
Patents

177.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 137.4
[M+Na]+ 200.104588 146.5
[M-H]- 176.108094 142.6
[M+NH4]+ 195.149193 161.1
[M+K]+ 216.078528 144.7
[M+H-H2O]+ 160.112630 132.8
[M+HCOO]- 222.113571 160.3
[M+CH3COO]- 236.129221 183.0
[M+Na-2H]- 198.090036 144.3
[M]+ 177.11482142 137.5
[M]- 177.11591858 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