CID 10725815

Tert-butyl 3-butyn-1-ylcarbamate

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(C)(C)OC(=O)NCCC#C
InChI
InChI=1S/C9H15NO2/c1-5-6-7-10-8(11)12-9(2,3)4/h1H,6-7H2,2-4H3,(H,10,11)
InChIKey
BWNQTGRBVMERHU-UHFFFAOYSA-N
Compound name
tert-butyl N-but-3-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

433
Patents

169.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 140.6
[M+Na]+ 192.099498 148.7
[M-H]- 168.103004 140.3
[M+NH4]+ 187.144103 158.9
[M+K]+ 208.073438 147.9
[M+H-H2O]+ 152.107540 129.9
[M+HCOO]- 214.108481 157.2
[M+CH3COO]- 228.124131 189.6
[M+Na-2H]- 190.084946 144.8
[M]+ 169.10973142 136.9
[M]- 169.11082858 136.9
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