CID 24697785

2,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-amine

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1=CC2=C(O1)CC(CC2N)(C)C
InChI
InChI=1S/C11H17NO/c1-7-4-8-9(12)5-11(2,3)6-10(8)13-7/h4,9H,5-6,12H2,1-3H3
InChIKey
RELXSYKVCJJEHC-UHFFFAOYSA-N
Compound name
2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

179.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 138.5
[M+Na]+ 202.12023 147.5
[M-H]- 178.12373 143.8
[M+NH4]+ 197.16483 162.5
[M+K]+ 218.09417 145.9
[M+H-H2O]+ 162.12827 134.3
[M+HCOO]- 224.12921 159.9
[M+CH3COO]- 238.14486 184.5
[M+Na-2H]- 200.10568 143.9
[M]+ 179.13046 137.6
[M]- 179.13156 137.6
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

patents stripe