CID 5463803

4-aminobutyraldehyde dimethyl acetal

Structural Information

Molecular Formula
C6H15NO2
SMILES
COC(CCCN)OC
InChI
InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3
InChIKey
TYVAXMOICMBSMT-UHFFFAOYSA-N
Compound name
4,4-dimethoxybutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

639
Patents

133.11028 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.11756 129.9
[M+Na]+ 156.09950 136.0
[M-H]- 132.10300 129.6
[M+NH4]+ 151.14410 151.4
[M+K]+ 172.07344 136.7
[M+H-H2O]+ 116.10754 124.8
[M+HCOO]- 178.10848 153.6
[M+CH3COO]- 192.12413 176.1
[M+Na-2H]- 154.08495 134.8
[M]+ 133.10973 131.6
[M]- 133.11083 131.6
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

patents stripe