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]+ 180.138286 138.5
[M+Na]+ 202.120228 147.5
[M-H]- 178.123734 143.8
[M+NH4]+ 197.164833 162.5
[M+K]+ 218.094168 145.9
[M+H-H2O]+ 162.128270 134.3
[M+HCOO]- 224.129211 159.9
[M+CH3COO]- 238.144861 184.5
[M+Na-2H]- 200.105676 143.9
[M]+ 179.13046142 137.6
[M]- 179.13155858 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