CID 6450953

(4-chloro-2-buten)cytosine (e)

Structural Information

Molecular Formula
C8H10ClN3O
SMILES
C1=CN(C(=O)N=C1N)C/C=C/CCl
InChI
InChI=1S/C8H10ClN3O/c9-4-1-2-5-12-6-3-7(10)11-8(12)13/h1-3,6H,4-5H2,(H2,10,11,13)/b2-1+
InChIKey
NZLSHCSJFKMBAO-OWOJBTEDSA-N
Compound name
4-amino-1-[(E)-4-chlorobut-2-enyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

199.05124 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05852 140.2
[M+Na]+ 222.04046 150.4
[M-H]- 198.04396 140.8
[M+NH4]+ 217.08506 157.5
[M+K]+ 238.01440 145.4
[M+H-H2O]+ 182.04850 133.5
[M+HCOO]- 244.04944 158.8
[M+CH3COO]- 258.06509 183.6
[M+Na-2H]- 220.02591 146.2
[M]+ 199.05069 141.5
[M]- 199.05179 141.5
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.