CID 104168

1-(3-butoxy-2-hydroxypropyl)-1,1-dimethyl-2-(2-methyl-1-oxo-2-propenyl)hydrazinium hydroxide inner salt

Structural Information

Molecular Formula
C13H27N2O3
SMILES
CCCCOCC(C[N+](C)(C)NC(=O)C(=C)C)O
InChI
InChI=1S/C13H26N2O3/c1-6-7-8-18-10-12(16)9-15(4,5)14-13(17)11(2)3/h12,16H,2,6-10H2,1,3-5H3/p+1
InChIKey
KUYVUHUIOQDCLK-UHFFFAOYSA-O
Compound name
(3-butoxy-2-hydroxypropyl)-dimethyl-(2-methylprop-2-enoylamino)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.20218 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20946 161.9
[M+Na]+ 282.19140 164.8
[M-H]- 258.19490 161.6
[M+NH4]+ 277.23600 178.1
[M+K]+ 298.16534 159.1
[M+H-H2O]+ 242.19944 159.0
[M+HCOO]- 304.20038 181.7
[M+CH3COO]- 318.21603 196.9
[M+Na-2H]- 280.17685 165.6
[M]+ 259.20163 162.7
[M]- 259.20273 162.7
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.