CID 3047906

63868-74-6

Structural Information

Molecular Formula
C14H21NO
SMILES
CC1(C2=CC=CC=C2C(O1)CCCNC)C
InChI
InChI=1S/C14H21NO/c1-14(2)12-8-5-4-7-11(12)13(16-14)9-6-10-15-3/h4-5,7-8,13,15H,6,9-10H2,1-3H3
InChIKey
FPTOTPOOIQJYTH-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1H-2-benzofuran-1-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 150.9
[M+Na]+ 242.15153 162.5
[M+NH4]+ 237.19613 161.6
[M+K]+ 258.12547 155.1
[M-H]- 218.15503 155.4
[M+Na-2H]- 240.13698 157.0
[M]+ 219.16176 154.0
[M]- 219.16286 154.0
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.