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 133.0
[M+Na]+ 182.13895 139.0
[M-H]- 158.14245 136.6
[M+NH4]+ 177.18355 155.0
[M+K]+ 198.11289 135.6
[M+H-H2O]+ 142.14699 130.9
[M+HCOO]- 204.14793 157.8
[M+CH3COO]- 218.16358 183.7
[M+Na-2H]- 180.12440 141.3
[M]+ 159.14918 134.4
[M]- 159.15028 134.4
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.