CID 3047443

1-propanamine, 3-(2-heptylphenoxy)-n-(1-methylethyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C19H33NO
SMILES
CCCCCCCC1=CC=CC=C1OCCCNC(C)C
InChI
InChI=1S/C19H33NO/c1-4-5-6-7-8-12-18-13-9-10-14-19(18)21-16-11-15-20-17(2)3/h9-10,13-14,17,20H,4-8,11-12,15-16H2,1-3H3
InChIKey
BKYSCAZDNZQRCN-UHFFFAOYSA-N
Compound name
3-(2-heptylphenoxy)-N-propan-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.25623 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.26351 177.6
[M+Na]+ 314.24545 180.4
[M-H]- 290.24895 179.5
[M+NH4]+ 309.29005 192.9
[M+K]+ 330.21939 176.9
[M+H-H2O]+ 274.25349 169.7
[M+HCOO]- 336.25443 199.0
[M+CH3COO]- 350.27008 210.3
[M+Na-2H]- 312.23090 178.6
[M]+ 291.25568 181.5
[M]- 291.25678 181.5
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.