CID 129926251

2126179-23-3

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)(C#CC(=O)O)N(C)C
InChI
InChI=1S/C8H13NO2/c1-8(2,9(3)4)6-5-7(10)11/h1-4H3,(H,10,11)
InChIKey
JXEYMAFJMOVCMT-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-4-methylpent-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

155.09464 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 136.9
[M+Na]+ 178.083858 145.1
[M-H]- 154.087364 136.8
[M+NH4]+ 173.128463 155.6
[M+K]+ 194.057798 145.0
[M+H-H2O]+ 138.091900 126.5
[M+HCOO]- 200.092841 152.9
[M+CH3COO]- 214.108491 188.3
[M+Na-2H]- 176.069306 140.5
[M]+ 155.09409142 132.3
[M]- 155.09518858 132.3
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

patents stripe