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]+ 176.10700 136.5
[M+Na]+ 198.08894 146.4
[M-H]- 174.09244 142.3
[M+NH4]+ 193.13354 158.4
[M+K]+ 214.06288 144.6
[M+H-H2O]+ 158.09698 131.3
[M+HCOO]- 220.09792 161.3
[M+CH3COO]- 234.11357 183.7
[M+Na-2H]- 196.07439 142.9
[M]+ 175.09917 138.7
[M]- 175.10027 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