CID 98041

7149-27-1

Structural Information

Molecular Formula
C18H25NO2
SMILES
CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1NC)C
InChI
InChI=1S/C18H25NO2/c1-6-18(4,13-9-10-14(2)3)21-17(20)15-11-7-8-12-16(15)19-5/h6-8,10-12,19H,1,9,13H2,2-5H3
InChIKey
YSISVWIJMAXDQL-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-1,6-dien-3-yl 2-(methylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.18854 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 171.8
[M+Na]+ 310.177758 176.3
[M-H]- 286.181264 174.6
[M+NH4]+ 305.222363 187.3
[M+K]+ 326.151698 172.9
[M+H-H2O]+ 270.185800 165.1
[M+HCOO]- 332.186741 191.9
[M+CH3COO]- 346.202391 206.6
[M+Na-2H]- 308.163206 173.1
[M]+ 287.18799142 173.5
[M]- 287.18908858 173.5
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.