CID 19820

3921-95-7

Structural Information

Molecular Formula
C9H16NO2
SMILES
CC(=O)OCC#CC[N+](C)(C)C
InChI
InChI=1S/C9H16NO2/c1-9(11)12-8-6-5-7-10(2,3)4/h7-8H2,1-4H3/q+1
InChIKey
UWAKJKBHXDYDNN-UHFFFAOYSA-N
Compound name
4-acetyloxybut-2-ynyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1181 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.125376 138.8
[M+Na]+ 193.107318 147.4
[M-H]- 169.110824 140.1
[M+NH4]+ 188.151923 157.7
[M+K]+ 209.081258 142.2
[M+H-H2O]+ 153.115360 130.8
[M+HCOO]- 215.116301 156.4
[M+CH3COO]- 229.131951 185.9
[M+Na-2H]- 191.092766 145.7
[M]+ 170.11755142 135.3
[M]- 170.11864858 135.3
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.