CID 30912

22041-45-8

Structural Information

Molecular Formula
C8H19N2O
SMILES
C[N+](C)(C)CCCCC(=O)N
InChI
InChI=1S/C8H18N2O/c1-10(2,3)7-5-4-6-8(9)11/h4-7H2,1-3H3,(H-,9,11)/p+1
InChIKey
IXJGGSSAULIMSL-UHFFFAOYSA-O
Compound name
(5-amino-5-oxopentyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

159.14973 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.15701 134.5
[M+Na]+ 182.13895 144.7
[M+NH4]+ 177.18355 143.0
[M+K]+ 198.11289 140.8
[M-H]- 158.14245 136.3
[M+Na-2H]- 180.12440 139.0
[M]+ 159.14918 136.6
[M]- 159.15028 136.6
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

patents stripe