CID 6437284

Methylanthranilate isononylaldehyde

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC(CCCC/C=C/C1=CC=CC=C1C(=O)OC)CN
InChI
InChI=1S/C17H25NO2/c1-14(13-18)9-5-3-4-6-10-15-11-7-8-12-16(15)17(19)20-2/h6-8,10-12,14H,3-5,9,13,18H2,1-2H3/b10-6+
InChIKey
LVANARGDNNHGNV-UXBLZVDNSA-N
Compound name
methyl 2-[(E)-8-amino-7-methyloct-1-enyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 170.3
[M+Na]+ 298.177758 174.5
[M-H]- 274.181264 172.4
[M+NH4]+ 293.222363 186.0
[M+K]+ 314.151698 171.0
[M+H-H2O]+ 258.185800 163.0
[M+HCOO]- 320.186741 191.4
[M+CH3COO]- 334.202391 203.5
[M+Na-2H]- 296.163206 170.1
[M]+ 275.18799142 171.7
[M]- 275.18908858 171.7
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.