CID 214363

33060-69-4

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC(C)(C#C)OC(=O)N
InChI
InChI=1S/C6H9NO2/c1-4-6(2,3)9-5(7)8/h1H,2-3H3,(H2,7,8)
InChIKey
SDJNOBUNFYNROE-UHFFFAOYSA-N
Compound name
2-methylbut-3-yn-2-yl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4884
Patents

127.06333 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 128.8
[M+Na]+ 150.05255 137.8
[M-H]- 126.05605 128.4
[M+NH4]+ 145.09715 148.1
[M+K]+ 166.02649 137.5
[M+H-H2O]+ 110.06059 118.6
[M+HCOO]- 172.06153 145.6
[M+CH3COO]- 186.07718 182.1
[M+Na-2H]- 148.03800 133.4
[M]+ 127.06278 123.2
[M]- 127.06388 123.2
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