CID 23590

4-allyloxy-n-methyl-3,5-dipropylbenzylamine hydrochloride

Structural Information

Molecular Formula
C17H27NO
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)CNC
InChI
InChI=1S/C17H27NO/c1-5-8-15-11-14(13-18-4)12-16(9-6-2)17(15)19-10-7-3/h7,11-12,18H,3,5-6,8-10,13H2,1-2,4H3
InChIKey
ABJHTFXLLDUVDR-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-prop-2-enoxy-3,5-dipropylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 165.4
[M+Na]+ 284.19848 171.7
[M-H]- 260.20198 168.6
[M+NH4]+ 279.24308 182.7
[M+K]+ 300.17242 167.7
[M+H-H2O]+ 244.20652 158.5
[M+HCOO]- 306.20746 188.8
[M+CH3COO]- 320.22311 205.0
[M+Na-2H]- 282.18393 167.5
[M]+ 261.20871 169.4
[M]- 261.20981 169.4
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