CID 44159146

1175621-48-3

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)NCCC#CC(=O)O
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h5,7H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
IIUCWHQBKUDVFC-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 151.3
[M+Na]+ 236.08933 158.6
[M-H]- 212.09283 149.6
[M+NH4]+ 231.13393 167.2
[M+K]+ 252.06327 157.9
[M+H-H2O]+ 196.09737 140.5
[M+HCOO]- 258.09831 165.9
[M+CH3COO]- 272.11396 192.4
[M+Na-2H]- 234.07478 153.4
[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

patents stripe