CID 22099083

2-chloro-5-decylpyrimidine

Structural Information

Molecular Formula
C14H23ClN2
SMILES
CCCCCCCCCCC1=CN=C(N=C1)Cl
InChI
InChI=1S/C14H23ClN2/c1-2-3-4-5-6-7-8-9-10-13-11-16-14(15)17-12-13/h11-12H,2-10H2,1H3
InChIKey
LJRSECCCAXFYFU-UHFFFAOYSA-N
Compound name
2-chloro-5-decylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

254.15498 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16226 161.1
[M+Na]+ 277.14420 174.8
[M+NH4]+ 272.18880 169.1
[M+K]+ 293.11814 165.2
[M-H]- 253.14770 162.7
[M+Na-2H]- 275.12965 167.5
[M]+ 254.15443 163.8
[M]- 254.15553 163.8
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