CID 16727822

4-(2,6,6-trimethylcyclohexen-1-yl)-6-vinyl-pyrimidin-2-amine

Structural Information

Molecular Formula
C15H21N3
SMILES
CC1=C(C(CCC1)(C)C)C2=NC(=NC(=C2)C=C)N
InChI
InChI=1S/C15H21N3/c1-5-11-9-12(18-14(16)17-11)13-10(2)7-6-8-15(13,3)4/h5,9H,1,6-8H2,2-4H3,(H2,16,17,18)
InChIKey
HKEWBQHOVLQORA-UHFFFAOYSA-N
Compound name
4-ethenyl-6-(2,6,6-trimethylcyclohexen-1-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.17355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.18083 158.8
[M+Na]+ 266.16277 167.3
[M-H]- 242.16627 162.7
[M+NH4]+ 261.20737 175.7
[M+K]+ 282.13671 162.5
[M+H-H2O]+ 226.17081 150.7
[M+HCOO]- 288.17175 178.0
[M+CH3COO]- 302.18740 198.6
[M+Na-2H]- 264.14822 162.0
[M]+ 243.17300 155.9
[M]- 243.17410 155.9
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.