CID 16787139

953752-61-9

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)N(C)C(=O)CCC(=O)O
InChI
InChI=1S/C8H15NO3/c1-6(2)9(3)7(10)4-5-8(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKey
DVYCMKHWPGTXSP-UHFFFAOYSA-N
Compound name
4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

173.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 139.4
[M+Na]+ 196.094418 144.6
[M-H]- 172.097924 139.6
[M+NH4]+ 191.139023 159.2
[M+K]+ 212.068358 145.9
[M+H-H2O]+ 156.102460 134.2
[M+HCOO]- 218.103401 160.7
[M+CH3COO]- 232.119051 185.0
[M+Na-2H]- 194.079866 140.6
[M]+ 173.10465142 140.8
[M]- 173.10574858 140.8
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