CID 171121049

Rehmagluamide

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(=O)/C=C/C=C(\C)/C(=O)NCCO
InChI
InChI=1S/C10H15NO3/c1-8(4-3-5-9(2)13)10(14)11-6-7-12/h3-5,12H,6-7H2,1-2H3,(H,11,14)/b5-3+,8-4+
InChIKey
WQCAJGYNYVBEIO-MSLMYCKWSA-N
Compound name
(2E,4E)-N-(2-hydroxyethyl)-2-methyl-6-oxohepta-2,4-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 146.6
[M+Na]+ 220.09442 151.6
[M-H]- 196.09792 145.1
[M+NH4]+ 215.13902 164.8
[M+K]+ 236.06836 149.7
[M+H-H2O]+ 180.10246 141.3
[M+HCOO]- 242.10340 167.2
[M+CH3COO]- 256.11905 184.4
[M+Na-2H]- 218.07987 147.5
[M]+ 197.10465 146.0
[M]- 197.10575 146.0
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.