CID 133

4-trimethylammoniobutanal

Structural Information

Molecular Formula
C7H16NO
SMILES
C[N+](C)(C)CCCC=O
InChI
InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
InChIKey
OITBLCDWXSXNCN-UHFFFAOYSA-N
Compound name
trimethyl(4-oxobutyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

249
Patents

130.12318 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.13046 125.3
[M+Na]+ 153.11240 132.6
[M-H]- 129.11590 127.6
[M+NH4]+ 148.15700 148.2
[M+K]+ 169.08634 127.7
[M+H-H2O]+ 113.12044 124.0
[M+HCOO]- 175.12138 149.9
[M+CH3COO]- 189.13703 172.5
[M+Na-2H]- 151.09785 135.9
[M]+ 130.12263 126.7
[M]- 130.12373 126.7
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.