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

48
Patents

261.17288 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.2
[M+Na]+ 284.16210 169.5
[M-H]- 260.16560 168.3
[M+NH4]+ 279.20670 181.5
[M+K]+ 300.13604 167.0
[M+H-H2O]+ 244.17014 156.7
[M+HCOO]- 306.17108 188.8
[M+CH3COO]- 320.18673 202.9
[M+Na-2H]- 282.14755 167.4
[M]+ 261.17233 168.9
[M]- 261.17343 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