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]+ 194.13869 144.4
[M+Na]+ 216.12063 149.0
[M-H]- 192.12413 142.2
[M+NH4]+ 211.16523 162.5
[M+K]+ 232.09457 149.3
[M+H-H2O]+ 176.12867 138.5
[M+HCOO]- 238.12961 166.3
[M+CH3COO]- 252.14526 183.6
[M+Na-2H]- 214.10608 147.8
[M]+ 193.13086 147.8
[M]- 193.13196 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