CID 23656

Nsc 37930

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)CN(C)C
InChI
InChI=1S/C18H29NO/c1-6-9-16-12-15(14-19(4)5)13-17(10-7-2)18(16)20-11-8-3/h8,12-13H,3,6-7,9-11,14H2,1-2,4-5H3
InChIKey
ZHKFWQHPXQDYHB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(4-prop-2-enoxy-3,5-dipropylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 169.9
[M+Na]+ 298.21412 175.9
[M-H]- 274.21762 174.4
[M+NH4]+ 293.25872 187.3
[M+K]+ 314.18806 173.1
[M+H-H2O]+ 258.22216 162.7
[M+HCOO]- 320.22310 193.4
[M+CH3COO]- 334.23875 211.4
[M+Na-2H]- 296.19957 170.7
[M]+ 275.22435 175.6
[M]- 275.22545 175.6
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.