CID 130118764

1823945-04-5

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N(C)CC#CC(=O)O
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11(4)7-5-6-8(12)13/h7H2,1-4H3,(H,12,13)
InChIKey
COVMQSCARBTVJV-UHFFFAOYSA-N
Compound name
4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]but-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 150.1
[M+Na]+ 236.08933 157.6
[M-H]- 212.09283 149.8
[M+NH4]+ 231.13393 166.6
[M+K]+ 252.06327 158.1
[M+H-H2O]+ 196.09737 139.2
[M+HCOO]- 258.09831 165.2
[M+CH3COO]- 272.11396 195.5
[M+Na-2H]- 234.07478 151.7
[M]+ 213.09956 147.3
[M]- 213.10066 147.3
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

No patent data available for this compound.