CID 105651

Methyl 2-(octylideneamino)benzoate

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCCCCCC=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C16H23NO2/c1-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16(18)19-2/h8-9,11-13H,3-7,10H2,1-2H3
InChIKey
YHXKDPQWWGRLRC-UHFFFAOYSA-N
Compound name
methyl 2-(octylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

54
Patents

261.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 164.2
[M+Na]+ 284.162098 169.5
[M-H]- 260.165604 168.3
[M+NH4]+ 279.206703 181.5
[M+K]+ 300.136038 167.0
[M+H-H2O]+ 244.170140 156.7
[M+HCOO]- 306.171081 188.8
[M+CH3COO]- 320.186731 202.9
[M+Na-2H]- 282.147546 167.4
[M]+ 261.17233142 168.9
[M]- 261.17342858 168.9
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