CID 1678743

N-decylmaleamic acid

Structural Information

Molecular Formula
C14H25NO3
SMILES
CCCCCCCCCCNC(=O)/C=C/C(=O)O
InChI
InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-12-15-13(16)10-11-14(17)18/h10-11H,2-9,12H2,1H3,(H,15,16)(H,17,18)/b11-10+
InChIKey
PSNAHWRZQOSIQE-ZHACJKMWSA-N
Compound name
(E)-4-(decylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 165.8
[M+Na]+ 278.17266 168.8
[M-H]- 254.17616 163.3
[M+NH4]+ 273.21726 181.6
[M+K]+ 294.14660 166.1
[M+H-H2O]+ 238.18070 159.4
[M+HCOO]- 300.18164 185.8
[M+CH3COO]- 314.19729 197.2
[M+Na-2H]- 276.15811 165.8
[M]+ 255.18289 168.1
[M]- 255.18399 168.1
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

patents stripe