CID 85697

1-phthalanpropylamine, n,n,3,3-tetramethyl-, oxalate

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]+ 234.185236 155.8
[M+Na]+ 256.167178 163.2
[M-H]- 232.170684 162.2
[M+NH4]+ 251.211783 178.1
[M+K]+ 272.141118 162.2
[M+H-H2O]+ 216.175220 150.2
[M+HCOO]- 278.176161 178.4
[M+CH3COO]- 292.191811 199.2
[M+Na-2H]- 254.152626 160.7
[M]+ 233.17741142 159.5
[M]- 233.17850858 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.