CID 16768275

1-(3-methyl-1-benzofuran-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1=C(OC2=CC=CC=C12)C(C)N
InChI
InChI=1S/C11H13NO/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6,8H,12H2,1-2H3
InChIKey
RPFUXVGRERMSGL-UHFFFAOYSA-N
Compound name
1-(3-methyl-1-benzofuran-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

175.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 136.5
[M+Na]+ 198.088938 146.4
[M-H]- 174.092444 142.3
[M+NH4]+ 193.133543 158.4
[M+K]+ 214.062878 144.6
[M+H-H2O]+ 158.096980 131.3
[M+HCOO]- 220.097921 161.3
[M+CH3COO]- 234.113571 183.7
[M+Na-2H]- 196.074386 142.9
[M]+ 175.09917142 138.7
[M]- 175.10026858 138.7
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

patents stripe