CID 3316

Exalamide

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCCCCCOC1=CC=CC=C1C(=O)N
InChI
InChI=1S/C13H19NO2/c1-2-3-4-7-10-16-12-9-6-5-8-11(12)13(14)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,14,15)
InChIKey
CKSJXOVLXUMMFF-UHFFFAOYSA-N
Compound name
2-hexoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

2843
Patents

221.14159 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.3
[M+Na]+ 244.13081 158.0
[M-H]- 220.13431 154.9
[M+NH4]+ 239.17541 170.1
[M+K]+ 260.10475 155.6
[M+H-H2O]+ 204.13885 145.5
[M+HCOO]- 266.13979 175.5
[M+CH3COO]- 280.15544 192.7
[M+Na-2H]- 242.11626 155.5
[M]+ 221.14104 153.8
[M]- 221.14214 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe