CID 137105

1,4,5,6-tetrahydropyrimidine

Structural Information

Molecular Formula
C4H8N2
SMILES
C1CNC=NC1
InChI
InChI=1S/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)
InChIKey
VBXZSFNZVNDOPB-UHFFFAOYSA-N
Compound name
1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

12600
Patents

84.06875 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.076026 115.1
[M+Na]+ 107.05797 121.1
[M-H]- 83.061474 113.8
[M+NH4]+ 102.10257 135.0
[M+K]+ 123.03191 120.0
[M+H-H2O]+ 67.066010 108.5
[M+HCOO]- 129.06695 134.2
[M+CH3COO]- 143.08260 158.6
[M+Na-2H]- 105.04342 124.2
[M]+ 84.068201 109.0
[M]- 84.069299 109.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe