CID 108755

55695-89-1

Structural Information

Molecular Formula
C18H38N2O2
SMILES
CC(C)(C)C(C(C)(C)C)N([N+](=O)C(C(C)(C)C)C(C)(C)C)[O-]
InChI
InChI=1S/C18H38N2O2/c1-15(2,3)13(16(4,5)6)19(21)20(22)14(17(7,8)9)18(10,11)12/h13-14H,1-12H3
InChIKey
IIVFGJKIYVRZQW-UHFFFAOYSA-N
Compound name
[oxido(2,2,4,4-tetramethylpentan-3-yl)amino]-oxo-(2,2,4,4-tetramethylpentan-3-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.29333 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.300606 197.4
[M+Na]+ 337.282548 207.6
[M-H]- 313.286054 203.3
[M+NH4]+ 332.327153 208.3
[M+K]+ 353.256488 209.0
[M+H-H2O]+ 297.290590 174.4
[M+HCOO]- 359.291531 209.4
[M+CH3COO]- 373.307181 212.8
[M+Na-2H]- 335.267996 192.1
[M]+ 314.29278142 200.8
[M]- 314.29387858 200.8
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.