CID 14415760

70776-67-9

Structural Information

Molecular Formula
C18H40NO4
SMILES
CCCCCCCCCCOCC(C[N+](C)(CCO)CCO)O
InChI
InChI=1S/C18H40NO4/c1-3-4-5-6-7-8-9-10-15-23-17-18(22)16-19(2,11-13-20)12-14-21/h18,20-22H,3-17H2,1-2H3/q+1
InChIKey
UZWCPCMEUNBBNG-UHFFFAOYSA-N
Compound name
(3-decoxy-2-hydroxypropyl)-bis(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.29575 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.303026 187.9
[M+Na]+ 357.284968 188.4
[M-H]- 333.288474 183.5
[M+NH4]+ 352.329573 199.9
[M+K]+ 373.258908 180.3
[M+H-H2O]+ 317.293010 184.2
[M+HCOO]- 379.293951 216.5
[M+CH3COO]- 393.309601 205.0
[M+Na-2H]- 355.270416 190.2
[M]+ 334.29520142 191.9
[M]- 334.29629858 191.9
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.