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

27
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 136.9
[M+Na]+ 178.08386 145.1
[M-H]- 154.08736 136.8
[M+NH4]+ 173.12846 155.6
[M+K]+ 194.05780 145.0
[M+H-H2O]+ 138.09190 126.5
[M+HCOO]- 200.09284 152.9
[M+CH3COO]- 214.10849 188.3
[M+Na-2H]- 176.06931 140.5
[M]+ 155.09409 132.3
[M]- 155.09519 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