CID 118

4-aminobutanal

Structural Information

Molecular Formula
C4H9NO
SMILES
C(CC=O)CN
InChI
InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2
InChIKey
DZQLQEYLEYWJIB-UHFFFAOYSA-N
Compound name
4-aminobutanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

59
References

3164
Patents

87.06841 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.5
[M+Na]+ 110.05763 123.0
[M-H]- 86.061134 115.6
[M+NH4]+ 105.10223 138.9
[M+K]+ 126.03157 122.8
[M+H-H2O]+ 70.065670 111.2
[M+HCOO]- 132.06661 140.8
[M+CH3COO]- 146.08226 166.2
[M+Na-2H]- 108.04308 122.9
[M]+ 87.067861 115.0
[M]- 87.068959 115.0
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