CID 14415758

Einecs 274-875-4

Structural Information

Molecular Formula
C16H36NO4
SMILES
CCCCCCCCOCC(C[N+](C)(CCO)CCO)O
InChI
InChI=1S/C16H36NO4/c1-3-4-5-6-7-8-13-21-15-16(20)14-17(2,9-11-18)10-12-19/h16,18-20H,3-15H2,1-2H3/q+1
InChIKey
QGPVUDVUQJTALV-UHFFFAOYSA-N
Compound name
bis(2-hydroxyethyl)-(2-hydroxy-3-octoxypropyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

306.26443 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.27171 178.9
[M+Na]+ 329.25365 180.2
[M-H]- 305.25715 174.9
[M+NH4]+ 324.29825 192.2
[M+K]+ 345.22759 172.6
[M+H-H2O]+ 289.26169 175.6
[M+HCOO]- 351.26263 195.4
[M+CH3COO]- 365.27828 199.0
[M+Na-2H]- 327.23910 182.2
[M]+ 306.26388 182.1
[M]- 306.26498 182.1
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