CID 136407080

4h,5h,6h,7h-[1,2,3,4]tetrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C4H7N5
SMILES
C1CNC2=NN=NN2C1
InChI
InChI=1S/C4H7N5/c1-2-5-4-6-7-8-9(4)3-1/h1-3H2,(H,5,6,8)
InChIKey
DCYOIYUFDAHJBK-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

125.070145 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07742 125.2
[M+Na]+ 148.05936 133.8
[M-H]- 124.06287 121.2
[M+NH4]+ 143.10397 142.3
[M+K]+ 164.03330 131.5
[M+H-H2O]+ 108.06740 116.1
[M+HCOO]- 170.06835 140.9
[M+CH3COO]- 184.08400 136.8
[M+Na-2H]- 146.04481 133.4
[M]+ 125.06960 120.7
[M]- 125.07069 120.7
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