CID 443042

4-methylammoniobutanal

Structural Information

Molecular Formula
C5H11NO
SMILES
CNCCCC=O
InChI
InChI=1S/C5H11NO/c1-6-4-2-3-5-7/h5-6H,2-4H2,1H3
InChIKey
PJZBKCVVFPTFAW-UHFFFAOYSA-N
Compound name
4-(methylamino)butanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

235
Patents

101.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 119.7
[M+Na]+ 124.07328 126.7
[M-H]- 100.07678 120.1
[M+NH4]+ 119.11788 142.7
[M+K]+ 140.04722 126.7
[M+H-H2O]+ 84.081320 115.1
[M+HCOO]- 146.08226 145.3
[M+CH3COO]- 160.09791 170.0
[M+Na-2H]- 122.05873 127.6
[M]+ 101.08351 120.5
[M]- 101.08461 120.5
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