CID 124253637

Tert-butyl 2-[methyl(prop-2-yn-1-yl)amino]acetate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C)(C)OC(=O)CN(C)CC#C
InChI
InChI=1S/C10H17NO2/c1-6-7-11(5)8-9(12)13-10(2,3)4/h1H,7-8H2,2-5H3
InChIKey
IZWDCIHJHOVGIQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[methyl(prop-2-ynyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 143.2
[M+Na]+ 206.115148 151.1
[M-H]- 182.118654 144.1
[M+NH4]+ 201.159753 161.5
[M+K]+ 222.089088 151.3
[M+H-H2O]+ 166.123190 132.3
[M+HCOO]- 228.124131 160.0
[M+CH3COO]- 242.139781 196.1
[M+Na-2H]- 204.100596 146.5
[M]+ 183.12538142 141.1
[M]- 183.12647858 141.1
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