CID 58253

101317-78-6

Structural Information

Molecular Formula
C23H44NO3
SMILES
CC[N+](C)(CC)CCOC(=O)CC(C1CCCCC1)C(C2CCCCC2)O
InChI
InChI=1S/C23H44NO3/c1-4-24(3,5-2)16-17-27-22(25)18-21(19-12-8-6-9-13-19)23(26)20-14-10-7-11-15-20/h19-21,23,26H,4-18H2,1-3H3/q+1
InChIKey
BCOMHWIPIJNPGN-UHFFFAOYSA-N
Compound name
2-(3,4-dicyclohexyl-4-hydroxybutanoyl)oxyethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.33212 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.33940 199.4
[M+Na]+ 405.32134 194.5
[M-H]- 381.32484 202.0
[M+NH4]+ 400.36594 209.4
[M+K]+ 421.29528 187.1
[M+H-H2O]+ 365.32938 193.8
[M+HCOO]- 427.33032 208.7
[M+CH3COO]- 441.34597 216.4
[M+Na-2H]- 403.30679 197.1
[M]+ 382.33157 191.7
[M]- 382.33267 191.7
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.