CID 10262630

158979-29-4

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N(CC#C)CC(=O)O
InChI
InChI=1S/C10H15NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h1H,6-7H2,2-4H3,(H,12,13)
InChIKey
UFIXSVLNUUDLSE-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

213.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 146.3
[M+Na]+ 236.08933 153.2
[M+NH4]+ 231.13393 147.8
[M+K]+ 252.06327 148.3
[M-H]- 212.09283 135.6
[M+Na-2H]- 234.07478 144.7
[M]+ 213.09956 143.0
[M]- 213.10066 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe