CID 171117773

Hydroxy lanyuamide i

Structural Information

Molecular Formula
C18H31NO3
SMILES
CCCCCCC(=O)CC/C=C/C=C/C(=O)NCC(C)(C)O
InChI
InChI=1S/C18H31NO3/c1-4-5-6-9-12-16(20)13-10-7-8-11-14-17(21)19-15-18(2,3)22/h7-8,11,14,22H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+
InChIKey
FIGNHNKYVQYJHG-DQBULIGTSA-N
Compound name
(2E,4E)-N-(2-hydroxy-2-methylpropyl)-8-oxotetradeca-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 181.7
[M+Na]+ 332.21962 184.0
[M-H]- 308.22312 178.9
[M+NH4]+ 327.26422 195.6
[M+K]+ 348.19356 180.1
[M+H-H2O]+ 292.22766 175.6
[M+HCOO]- 354.22860 199.1
[M+CH3COO]- 368.24425 207.9
[M+Na-2H]- 330.20507 180.7
[M]+ 309.22985 184.3
[M]- 309.23095 184.3
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.