CID 87024

17268-48-3

Structural Information

Molecular Formula
C8H19N2O
SMILES
CN(C)C(=O)CC[N+](C)(C)C
InChI
InChI=1S/C8H19N2O/c1-9(2)8(11)6-7-10(3,4)5/h6-7H2,1-5H3/q+1
InChIKey
MXBDCMMNPUJAJT-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)-3-oxopropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.14973 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.15701 134.9
[M+Na]+ 182.13895 145.6
[M+NH4]+ 177.18355 143.8
[M+K]+ 198.11289 141.9
[M-H]- 158.14245 137.2
[M+Na-2H]- 180.12440 140.0
[M]+ 159.14918 137.3
[M]- 159.15028 137.3
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.