CID 1263582

21604-47-7

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(=O)NC(C)(C)C#C
InChI
InChI=1S/C7H11NO/c1-5-7(3,4)8-6(2)9/h1H,2-4H3,(H,8,9)
InChIKey
XZISYAHJULRTFY-UHFFFAOYSA-N
Compound name
N-(2-methylbut-3-yn-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

125.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 129.7
[M+Na]+ 148.07328 138.5
[M-H]- 124.07678 129.7
[M+NH4]+ 143.11788 149.4
[M+K]+ 164.04722 137.7
[M+H-H2O]+ 108.08132 119.6
[M+HCOO]- 170.08226 146.6
[M+CH3COO]- 184.09791 183.6
[M+Na-2H]- 146.05873 134.8
[M]+ 125.08351 124.1
[M]- 125.08461 124.1
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