CID 85697

14200-22-7

Structural Information

Molecular Formula
C15H23NO
SMILES
CC1(C2=CC=CC=C2C(O1)CCCN(C)C)C
InChI
InChI=1S/C15H23NO/c1-15(2)13-9-6-5-8-12(13)14(17-15)10-7-11-16(3)4/h5-6,8-9,14H,7,10-11H2,1-4H3
InChIKey
FINPTLSFMLRAEW-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1H-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.17796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 155.8
[M+Na]+ 256.16718 163.2
[M-H]- 232.17068 162.2
[M+NH4]+ 251.21178 178.1
[M+K]+ 272.14112 162.2
[M+H-H2O]+ 216.17522 150.2
[M+HCOO]- 278.17616 178.4
[M+CH3COO]- 292.19181 199.2
[M+Na-2H]- 254.15263 160.7
[M]+ 233.17741 159.5
[M]- 233.17851 159.5
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.