CID 10396915

1-cyclopropyl-3-(dimethylamino)-2-propen-1-one

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

81
Patents

139.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.6
[M+Na]+ 162.08894 141.6
[M+NH4]+ 157.13354 139.2
[M+K]+ 178.06288 137.9
[M-H]- 138.09244 138.7
[M+Na-2H]- 160.07439 137.9
[M]+ 139.09917 135.3
[M]- 139.10027 135.3
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