CID 10396915

1207839-99-3

Structural Information

Molecular Formula
C8H13NO
SMILES
CN(C)/C=C/C(=O)C1CC1
InChI
InChI=1S/C8H13NO/c1-9(2)6-5-8(10)7-3-4-7/h5-7H,3-4H2,1-2H3/b6-5+
InChIKey
DSYKNHAWLDLWBM-AATRIKPKSA-N
Compound name
(E)-1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

139.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 130.8
[M+Na]+ 162.088938 138.9
[M-H]- 138.092444 136.8
[M+NH4]+ 157.133543 148.0
[M+K]+ 178.062878 137.7
[M+H-H2O]+ 122.096980 124.6
[M+HCOO]- 184.097921 155.5
[M+CH3COO]- 198.113571 183.6
[M+Na-2H]- 160.074386 135.7
[M]+ 139.09917142 133.8
[M]- 139.10026858 133.8
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