CID 88464

20286-12-8

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(C)C(=O)N1CC1
InChI
InChI=1S/C6H11NO/c1-5(2)6(8)7-3-4-7/h5H,3-4H2,1-2H3
InChIKey
ZCYVBYQBOWLNBU-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

91
Patents

113.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 126.6
[M+Na]+ 136.07328 135.7
[M-H]- 112.07678 130.1
[M+NH4]+ 131.11788 143.2
[M+K]+ 152.04722 134.6
[M+H-H2O]+ 96.081320 120.3
[M+HCOO]- 158.08226 148.1
[M+CH3COO]- 172.09791 174.1
[M+Na-2H]- 134.05873 131.6
[M]+ 113.08351 128.9
[M]- 113.08461 128.9
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