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]+ 190.143766 142.1
[M+Na]+ 212.125708 147.3
[M-H]- 188.129214 145.3
[M+NH4]+ 207.170313 161.9
[M+K]+ 228.099648 148.4
[M+H-H2O]+ 172.133750 136.8
[M+HCOO]- 234.134691 162.4
[M+CH3COO]- 248.150341 183.4
[M+Na-2H]- 210.111156 148.1
[M]+ 189.13594142 141.6
[M]- 189.13703858 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.