CID 10262630

2-{[(tert-butoxy)carbonyl](prop-2-yn-1-yl)amino}acetic acid

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

197
Patents

213.10011 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.107386 149.5
[M+Na]+ 236.089328 156.8
[M-H]- 212.092834 149.0
[M+NH4]+ 231.133933 165.8
[M+K]+ 252.063268 157.3
[M+H-H2O]+ 196.097370 138.5
[M+HCOO]- 258.098311 164.6
[M+CH3COO]- 272.113961 196.7
[M+Na-2H]- 234.074776 151.1
[M]+ 213.09956142 146.8
[M]- 213.10065858 146.8
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