CID 3041607

2-acetyl-1,1-dimethyl-1-(2-hydroxyhexadecyl)hydrazinium hydroxide inner salt

Structural Information

Molecular Formula
C20H43N2O2
SMILES
CCCCCCCCCCCCCCC(C[N+](C)(C)NC(=O)C)O
InChI
InChI=1S/C20H42N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)18-22(3,4)21-19(2)23/h20,24H,5-18H2,1-4H3/p+1
InChIKey
YZIXLWZQIHFFDA-UHFFFAOYSA-O
Compound name
acetamido-(2-hydroxyhexadecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.33246 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.33974 192.9
[M+Na]+ 366.32168 192.9
[M-H]- 342.32518 191.2
[M+NH4]+ 361.36628 217.3
[M+K]+ 382.29562 185.0
[M+H-H2O]+ 326.32972 188.6
[M+HCOO]- 388.33066 228.9
[M+CH3COO]- 402.34631 216.3
[M+Na-2H]- 364.30713 194.0
[M]+ 343.33191 196.4
[M]- 343.33301 196.4
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.