CID 139023990

(2r)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1CC2=C(O1)C=CC(=C2)C[C@@H](C)N
InChI
InChI=1S/C12H17NO/c1-8(13)5-10-3-4-12-11(7-10)6-9(2)14-12/h3-4,7-9H,5-6,13H2,1-2H3/t8-,9?/m1/s1
InChIKey
YHGHOTMHEKKYDI-VEDVMXKPSA-N
Compound name
(2R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.9
[M+Na]+ 214.120228 151.2
[M-H]- 190.123734 148.7
[M+NH4]+ 209.164833 165.0
[M+K]+ 230.094168 149.6
[M+H-H2O]+ 174.128270 138.5
[M+HCOO]- 236.129211 165.4
[M+CH3COO]- 250.144861 187.4
[M+Na-2H]- 212.105676 147.8
[M]+ 191.13046142 143.5
[M]- 191.13155858 143.5
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

No patent data available for this compound.