CID 127170

98855-43-7

Structural Information

Molecular Formula
C9H19N2O3
SMILES
CC(=O)NC(CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C9H18N2O3/c1-7(12)10-8(5-9(13)14)6-11(2,3)4/h8H,5-6H2,1-4H3,(H-,10,12,13,14)/p+1
InChIKey
UWNPJVFSZBPJQO-UHFFFAOYSA-O
Compound name
(2-acetamido-3-carboxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

30
Patents

203.13957 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14685 143.0
[M+Na]+ 226.12879 147.6
[M-H]- 202.13229 143.5
[M+NH4]+ 221.17339 161.4
[M+K]+ 242.10273 142.9
[M+H-H2O]+ 186.13683 140.8
[M+HCOO]- 248.13777 164.1
[M+CH3COO]- 262.15342 184.8
[M+Na-2H]- 224.11424 148.8
[M]+ 203.13902 142.3
[M]- 203.14012 142.3
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

patents stripe