CID 6377520

Cenestil

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C/C=C(\C(C)C)/C(=O)NC(=O)N
InChI
InChI=1S/C8H14N2O2/c1-4-6(5(2)3)7(11)10-8(9)12/h4-5H,1-3H3,(H3,9,10,11,12)/b6-4+
InChIKey
JWLVVNRQYDFQGA-GQCTYLIASA-N
Compound name
(E)-N-carbamoyl-2-propan-2-ylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 140.8
[M+Na]+ 193.09475 146.9
[M+NH4]+ 188.13935 146.1
[M+K]+ 209.06869 144.5
[M-H]- 169.09825 138.9
[M+Na-2H]- 191.08020 141.3
[M]+ 170.10498 140.4
[M]- 170.10608 140.4
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

No patent data available for this compound.