CID 42578

Hydrazinium, 2-acetyl-1,1-dimethyl-1-(2-hydroxytetradecyl)-, hydroxide, inner salt

Structural Information

Molecular Formula
C18H39N2O2
SMILES
CCCCCCCCCCCCC(C[N+](C)(C)NC(=O)C)O
InChI
InChI=1S/C18H38N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-18(22)16-20(3,4)19-17(2)21/h18,22H,5-16H2,1-4H3/p+1
InChIKey
IPDRJOMEGJRPRB-UHFFFAOYSA-O
Compound name
acetamido-(2-hydroxytetradecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.30115 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.30843 183.8
[M+Na]+ 338.29037 184.6
[M-H]- 314.29387 182.5
[M+NH4]+ 333.33497 198.0
[M+K]+ 354.26431 177.3
[M+H-H2O]+ 298.29841 179.9
[M+HCOO]- 360.29935 202.5
[M+CH3COO]- 374.31500 210.3
[M+Na-2H]- 336.27582 186.0
[M]+ 315.30060 186.5
[M]- 315.30170 186.5
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.