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

161
Patents

113.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 127.3
[M+Na]+ 136.07328 136.6
[M-H]- 112.07678 130.7
[M+NH4]+ 131.11788 144.0
[M+K]+ 152.04722 135.2
[M+H-H2O]+ 96.081320 120.8
[M+HCOO]- 158.08226 149.7
[M+CH3COO]- 172.09791 173.3
[M+Na-2H]- 134.05873 133.4
[M]+ 113.08351 130.1
[M]- 113.08461 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