CID 41578

3'-hydroxy-2-methylhexananilide

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

0
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 152.9
[M+Na]+ 244.13081 157.9
[M-H]- 220.13431 154.8
[M+NH4]+ 239.17541 170.3
[M+K]+ 260.10475 155.6
[M+H-H2O]+ 204.13885 146.5
[M+HCOO]- 266.13979 174.3
[M+CH3COO]- 280.15544 191.0
[M+Na-2H]- 242.11626 155.4
[M]+ 221.14104 152.7
[M]- 221.14214 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