CID 129932754

[1-(1,3-dihydro-2-benzofuran-5-yl)propan-2-yl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(CC1=CC2=C(COC2)C=C1)NC
InChI
InChI=1S/C12H17NO/c1-9(13-2)5-10-3-4-11-7-14-8-12(11)6-10/h3-4,6,9,13H,5,7-8H2,1-2H3
InChIKey
RFIJNWGOFCMHHI-UHFFFAOYSA-N
Compound name
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.5
[M+Na]+ 214.12023 149.8
[M-H]- 190.12373 148.3
[M+NH4]+ 209.16483 164.4
[M+K]+ 230.09417 148.5
[M+H-H2O]+ 174.12827 137.7
[M+HCOO]- 236.12921 165.6
[M+CH3COO]- 250.14486 186.8
[M+Na-2H]- 212.10568 149.1
[M]+ 191.13046 143.6
[M]- 191.13156 143.6
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.