CID 112693098

875230-67-4

Structural Information

Molecular Formula
C8H19NO4
SMILES
COCCOCCOCC(CN)O
InChI
InChI=1S/C8H19NO4/c1-11-2-3-12-4-5-13-7-8(10)6-9/h8,10H,2-7,9H2,1H3
InChIKey
CFRPESPLEZFBKM-UHFFFAOYSA-N
Compound name
1-amino-3-[2-(2-methoxyethoxy)ethoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.13141 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.138686 144.4
[M+Na]+ 216.120628 149.0
[M-H]- 192.124134 142.2
[M+NH4]+ 211.165233 162.5
[M+K]+ 232.094568 149.3
[M+H-H2O]+ 176.128670 138.5
[M+HCOO]- 238.129611 166.3
[M+CH3COO]- 252.145261 183.6
[M+Na-2H]- 214.106076 147.8
[M]+ 193.13086142 147.8
[M]- 193.13195858 147.8
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