CID 19722

3854-10-2

Structural Information

Molecular Formula
C11H22N3O
SMILES
CN(C)C(=O)N(C)CC#CC[N+](C)(C)C
InChI
InChI=1S/C11H22N3O/c1-12(2)11(15)13(3)9-7-8-10-14(4,5)6/h9-10H2,1-6H3/q+1
InChIKey
ZXBHJDUTDZEVMK-UHFFFAOYSA-N
Compound name
4-[dimethylcarbamoyl(methyl)amino]but-2-ynyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17628 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18356 152.2
[M+Na]+ 235.16550 158.4
[M-H]- 211.16900 155.3
[M+NH4]+ 230.21010 169.9
[M+K]+ 251.13944 155.1
[M+H-H2O]+ 195.17354 142.5
[M+HCOO]- 257.17448 171.4
[M+CH3COO]- 271.19013 203.8
[M+Na-2H]- 233.15095 156.9
[M]+ 212.17573 148.4
[M]- 212.17683 148.4
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.