CID 3085552

2-hexadecyldimethylamine oxide

Structural Information

Molecular Formula
C18H39NO
SMILES
CCCCCCCCCCCCCC[C@@H](C)[N+](C)(C)[O-]
InChI
InChI=1S/C18H39NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3,4)20/h18H,5-17H2,1-4H3/t18-/m1/s1
InChIKey
YTMRCGDXXPVCNT-GOSISDBHSA-N
Compound name
(2R)-N,N-dimethylhexadecan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

285.30316 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.31044 181.2
[M+Na]+ 308.29238 183.2
[M-H]- 284.29588 179.7
[M+NH4]+ 303.33698 197.2
[M+K]+ 324.26632 176.3
[M+H-H2O]+ 268.30042 180.0
[M+HCOO]- 330.30136 200.4
[M+CH3COO]- 344.31701 204.7
[M+Na-2H]- 306.27783 183.4
[M]+ 285.30261 184.5
[M]- 285.30371 184.5
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

patents stripe