CID 13386

1-ethyl-2-methyleneaziridine

Structural Information

Molecular Formula
C5H9N
SMILES
CCN1CC1=C
InChI
InChI=1S/C5H9N/c1-3-6-4-5(6)2/h2-4H2,1H3
InChIKey
UZMGEBBPHWTIPS-UHFFFAOYSA-N
Compound name
1-ethyl-2-methylideneaziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

83.0735 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 118.6
[M+Na]+ 106.062718 129.5
[M-H]- 82.066224 122.5
[M+NH4]+ 101.107323 136.8
[M+K]+ 122.036658 127.6
[M+H-H2O]+ 66.070760 112.7
[M+HCOO]- 128.071701 142.1
[M+CH3COO]- 142.087351 169.5
[M+Na-2H]- 104.048166 126.0
[M]+ 83.07295142 120.8
[M]- 83.07404858 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

No literature data available for this compound.

Patent stripe

patents stripe