CID 87498437

Tert-butyl n-(but-3-yn-2-yl)-n-methylcarbamate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C#C)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO2/c1-7-8(2)11(6)9(12)13-10(3,4)5/h1,8H,2-6H3
InChIKey
GOPJCENSQSILMD-UHFFFAOYSA-N
Compound name
tert-butyl N-but-3-yn-2-yl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

183.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 143.9
[M+Na]+ 206.11515 151.7
[M-H]- 182.11865 144.9
[M+NH4]+ 201.15975 162.3
[M+K]+ 222.08909 152.3
[M+H-H2O]+ 166.12319 133.1
[M+HCOO]- 228.12413 159.9
[M+CH3COO]- 242.13978 196.3
[M+Na-2H]- 204.10060 146.1
[M]+ 183.12538 141.1
[M]- 183.12648 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

No patent data available for this compound.