CID 6450467

Mono(undecylenic amidoethyl) maleate

Structural Information

Molecular Formula
C17H27NO5
SMILES
C=CCCCCCCCCC(=O)NCCOC(=O)/C=C/C(=O)O
InChI
InChI=1S/C17H27NO5/c1-2-3-4-5-6-7-8-9-10-15(19)18-13-14-23-17(22)12-11-16(20)21/h2,11-12H,1,3-10,13-14H2,(H,18,19)(H,20,21)/b12-11+
InChIKey
PYWYRUGHEMNKNW-VAWYXSNFSA-N
Compound name
(E)-4-oxo-4-[2-(undec-10-enoylamino)ethoxy]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.18893 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19621 181.4
[M+Na]+ 348.17815 183.4
[M-H]- 324.18165 178.4
[M+NH4]+ 343.22275 194.0
[M+K]+ 364.15209 180.4
[M+H-H2O]+ 308.18619 174.3
[M+HCOO]- 370.18713 200.2
[M+CH3COO]- 384.20278 208.8
[M+Na-2H]- 346.16360 178.9
[M]+ 325.18838 185.5
[M]- 325.18948 185.5
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.