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

8
Patents

183.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 143.9
[M+Na]+ 206.115148 151.7
[M-H]- 182.118654 144.9
[M+NH4]+ 201.159753 162.3
[M+K]+ 222.089088 152.3
[M+H-H2O]+ 166.123190 133.1
[M+HCOO]- 228.124131 159.9
[M+CH3COO]- 242.139781 196.3
[M+Na-2H]- 204.100596 146.1
[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