CID 25274

Butyrylethyleneimine

Structural Information

Molecular Formula
C6H11NO
SMILES
CCCC(=O)N1CC1
InChI
InChI=1S/C6H11NO/c1-2-3-6(8)7-4-5-7/h2-5H2,1H3
InChIKey
UFWIDNCIQKQRIJ-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

113.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 127.3
[M+Na]+ 136.073278 136.6
[M-H]- 112.076784 130.7
[M+NH4]+ 131.117883 144.0
[M+K]+ 152.047218 135.2
[M+H-H2O]+ 96.081320 120.8
[M+HCOO]- 158.082261 149.7
[M+CH3COO]- 172.097911 173.3
[M+Na-2H]- 134.058726 133.4
[M]+ 113.08351142 130.1
[M]- 113.08460858 130.1
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

patents stripe