CID 6452678

Einecs 226-073-0

Structural Information

Molecular Formula
C7H15N2O2
SMILES
C[N+](=CCC(CC(=O)N)O)C
InChI
InChI=1S/C7H14N2O2/c1-9(2)4-3-6(10)5-7(8)11/h4,6,10H,3,5H2,1-2H3,(H-,8,11)/p+1
InChIKey
MBVJCZRAAOJMIG-UHFFFAOYSA-O
Compound name
(5-amino-3-hydroxy-5-oxopentylidene)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.11336 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.12064 135.2
[M+Na]+ 182.10258 140.3
[M-H]- 158.10608 135.2
[M+NH4]+ 177.14718 154.8
[M+K]+ 198.07652 135.0
[M+H-H2O]+ 142.11062 132.6
[M+HCOO]- 204.11156 157.7
[M+CH3COO]- 218.12721 175.9
[M+Na-2H]- 180.08803 139.6
[M]+ 159.11281 132.2
[M]- 159.11391 132.2
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.