CID 59662

N-allyl-1-aziridinepropionamide

Structural Information

Molecular Formula
C8H14N2O
SMILES
C=CCNC(=O)CCN1CC1
InChI
InChI=1S/C8H14N2O/c1-2-4-9-8(11)3-5-10-6-7-10/h2H,1,3-7H2,(H,9,11)
InChIKey
OLVVHOCHCCVRJF-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-prop-2-enylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.11061 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 137.9
[M+Na]+ 177.09983 145.9
[M-H]- 153.10333 140.9
[M+NH4]+ 172.14443 152.6
[M+K]+ 193.07377 143.0
[M+H-H2O]+ 137.10787 130.9
[M+HCOO]- 199.10881 160.9
[M+CH3COO]- 213.12446 182.7
[M+Na-2H]- 175.08528 143.3
[M]+ 154.11006 140.1
[M]- 154.11116 140.1
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