CID 4112111

15178-71-9

Structural Information

Molecular Formula
C13H29NO
SMILES
CCCCCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3
InChIKey
OZHBUVQCJMARBN-UHFFFAOYSA-N
Compound name
N,N-dimethylundecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1380
Patents

215.22491 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.23219 157.7
[M+Na]+ 238.21413 161.9
[M-H]- 214.21763 157.1
[M+NH4]+ 233.25873 176.5
[M+K]+ 254.18807 156.0
[M+H-H2O]+ 198.22217 157.4
[M+HCOO]- 260.22311 179.5
[M+CH3COO]- 274.23876 189.0
[M+Na-2H]- 236.19958 163.8
[M]+ 215.22436 159.8
[M]- 215.22546 159.8
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.