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

8
Patents

155.09464 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.3
[M+Na]+ 178.08386 142.6
[M+NH4]+ 173.12846 137.5
[M+K]+ 194.05780 136.5
[M-H]- 154.08736 125.1
[M+Na-2H]- 176.06931 134.4
[M]+ 155.09409 131.8
[M]- 155.09519 131.8
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