CID 63547880

6,7,8,9-tetrahydro-5h-cyclohepta[d]pyrimidin-2-amine

Structural Information

Molecular Formula
C9H13N3
SMILES
C1CCC2=CN=C(N=C2CC1)N
InChI
InChI=1S/C9H13N3/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5H2,(H2,10,11,12)
InChIKey
WRTPXRVXSLDXBJ-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

163.11095 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.11823 132.4
[M+Na]+ 186.10017 142.7
[M+NH4]+ 181.14477 140.5
[M+K]+ 202.07411 137.9
[M-H]- 162.10367 134.5
[M+Na-2H]- 184.08562 138.8
[M]+ 163.11040 134.4
[M]- 163.11150 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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