CID 392390

Nsc692754

Structural Information

Molecular Formula
C13H19NO3
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)NO
InChI
InChI=1S/C13H19NO3/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)13(15)14-16/h6-9,16H,2-5,10H2,1H3,(H,14,15)
InChIKey
JECHWTQWVCPLAW-UHFFFAOYSA-N
Compound name
4-hexoxy-N-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.2
[M+Na]+ 260.12571 160.5
[M-H]- 236.12921 157.0
[M+NH4]+ 255.17031 172.0
[M+K]+ 276.09965 158.1
[M+H-H2O]+ 220.13375 148.4
[M+HCOO]- 282.13469 177.8
[M+CH3COO]- 296.15034 192.2
[M+Na-2H]- 258.11116 159.1
[M]+ 237.13594 157.2
[M]- 237.13704 157.2
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.