CID 57412438

2,4,4-trimethoxybutan-1-amine

Structural Information

Molecular Formula
C7H17NO3
SMILES
COC(CC(OC)OC)CN
InChI
InChI=1S/C7H17NO3/c1-9-6(5-8)4-7(10-2)11-3/h6-7H,4-5,8H2,1-3H3
InChIKey
LRPLRCNAFFDJHA-UHFFFAOYSA-N
Compound name
2,4,4-trimethoxybutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

163.12085 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.128126 137.8
[M+Na]+ 186.110068 143.2
[M-H]- 162.113574 137.4
[M+NH4]+ 181.154673 157.9
[M+K]+ 202.084008 144.6
[M+H-H2O]+ 146.118110 132.3
[M+HCOO]- 208.119051 160.4
[M+CH3COO]- 222.134701 182.0
[M+Na-2H]- 184.095516 140.9
[M]+ 163.12030142 140.6
[M]- 163.12139858 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.