CID 5356956

52492-69-0

Structural Information

Molecular Formula
C16H29NO3
SMILES
CCCCCCCCCCCCNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(19)20/h12-13H,2-11,14H2,1H3,(H,17,18)(H,19,20)/b13-12-
InChIKey
OEWYPDFKPCJYMS-SEYXRHQNSA-N
Compound name
(Z)-4-(dodecylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

283.21475 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.22203 174.7
[M+Na]+ 306.20397 176.9
[M-H]- 282.20747 171.8
[M+NH4]+ 301.24857 189.4
[M+K]+ 322.17791 173.7
[M+H-H2O]+ 266.21201 168.0
[M+HCOO]- 328.21295 194.0
[M+CH3COO]- 342.22860 203.2
[M+Na-2H]- 304.18942 173.7
[M]+ 283.21420 177.8
[M]- 283.21530 177.8
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