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

250
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

literature stripe

Patent stripe

patents stripe