CID 9994

1-acetylaziridine

Structural Information

Molecular Formula
C4H7NO
SMILES
CC(=O)N1CC1
InChI
InChI=1S/C4H7NO/c1-4(6)5-2-3-5/h2-3H2,1H3
InChIKey
OTIXUSNHAKOJBX-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2098
Patents

85.052765 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 118.7
[M+Na]+ 108.04198 128.9
[M-H]- 84.045489 122.4
[M+NH4]+ 103.08659 136.4
[M+K]+ 124.01592 127.9
[M+H-H2O]+ 68.050025 112.6
[M+HCOO]- 130.05097 141.7
[M+CH3COO]- 144.06662 167.5
[M+Na-2H]- 106.02743 125.8
[M]+ 85.052216 120.8
[M]- 85.053314 120.8
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