CID 3041816

Brn 2738360

Structural Information

Molecular Formula
C14H21NO3
SMILES
CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C14H21NO3/c1-3-4-5-6-14(17)15-10-11-7-8-12(16)13(9-11)18-2/h7-9,16H,3-6,10H2,1-2H3,(H,15,17)
InChIKey
YJQLQRQDCOOXQU-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

251.15215 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 159.5
[M+Na]+ 274.14137 165.2
[M-H]- 250.14487 161.5
[M+NH4]+ 269.18597 176.0
[M+K]+ 290.11531 162.7
[M+H-H2O]+ 234.14941 152.8
[M+HCOO]- 296.15035 181.8
[M+CH3COO]- 310.16600 196.5
[M+Na-2H]- 272.12682 162.2
[M]+ 251.15160 162.2
[M]- 251.15270 162.2
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