CID 41578

Hexananilide, 3'-hydroxy-2-methyl-

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCCCC(C)C(=O)NC1=CC(=CC=C1)O
InChI
InChI=1S/C13H19NO2/c1-3-4-6-10(2)13(16)14-11-7-5-8-12(15)9-11/h5,7-10,15H,3-4,6H2,1-2H3,(H,14,16)
InChIKey
QWWDUZKRLMIROL-UHFFFAOYSA-N
Compound name
N-(3-hydroxyphenyl)-2-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.14159 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 152.9
[M+Na]+ 244.130808 157.9
[M-H]- 220.134314 154.8
[M+NH4]+ 239.175413 170.3
[M+K]+ 260.104748 155.6
[M+H-H2O]+ 204.138850 146.5
[M+HCOO]- 266.139791 174.3
[M+CH3COO]- 280.155441 191.0
[M+Na-2H]- 242.116256 155.4
[M]+ 221.14104142 152.7
[M]- 221.14213858 152.7
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

patents stripe