CID 115877

63937-30-4

Structural Information

Molecular Formula
C8H11NO2
SMILES
CN(C)C1=C(C(=O)C(=C)C1)O
InChI
InChI=1S/C8H11NO2/c1-5-4-6(9(2)3)8(11)7(5)10/h11H,1,4H2,2-3H3
InChIKey
RSSKIVGIDBXOIX-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2-hydroxy-5-methylidenecyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

153.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 129.7
[M+Na]+ 176.068198 138.6
[M-H]- 152.071704 134.2
[M+NH4]+ 171.112803 152.9
[M+K]+ 192.042138 137.5
[M+H-H2O]+ 136.076240 125.1
[M+HCOO]- 198.077181 154.7
[M+CH3COO]- 212.092831 180.2
[M+Na-2H]- 174.053646 132.4
[M]+ 153.07843142 129.7
[M]- 153.07952858 129.7
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