CID 132327881

2126159-56-4

Structural Information

Molecular Formula
C9H19NO3
SMILES
COC1(CCOCC1CCN)OC
InChI
InChI=1S/C9H19NO3/c1-11-9(12-2)4-6-13-7-8(9)3-5-10/h8H,3-7,10H2,1-2H3
InChIKey
QVMQWJMLBRVCJQ-UHFFFAOYSA-N
Compound name
2-(4,4-dimethoxyoxan-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.13649 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14377 142.1
[M+Na]+ 212.12571 147.3
[M-H]- 188.12921 145.3
[M+NH4]+ 207.17031 161.9
[M+K]+ 228.09965 148.4
[M+H-H2O]+ 172.13375 136.8
[M+HCOO]- 234.13469 162.4
[M+CH3COO]- 248.15034 183.4
[M+Na-2H]- 210.11116 148.1
[M]+ 189.13594 141.6
[M]- 189.13704 141.6
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.