CID 19720

3854-07-7

Structural Information

Molecular Formula
C10H19N2O
SMILES
CC(=O)N(C)CC#CC[N+](C)(C)C
InChI
InChI=1S/C10H19N2O/c1-10(13)11(2)8-6-7-9-12(3,4)5/h8-9H2,1-5H3/q+1
InChIKey
WJVPNFCLCSLEDH-UHFFFAOYSA-N
Compound name
4-[acetyl(methyl)amino]but-2-ynyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

47
References

0
Patents

183.14973 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.15701 144.0
[M+Na]+ 206.13895 151.5
[M-H]- 182.14245 146.3
[M+NH4]+ 201.18355 162.7
[M+K]+ 222.11289 147.0
[M+H-H2O]+ 166.14699 135.3
[M+HCOO]- 228.14793 162.4
[M+CH3COO]- 242.16358 194.3
[M+Na-2H]- 204.12440 149.8
[M]+ 183.14918 139.8
[M]- 183.15028 139.8
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.