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: 19
Patents: 125.070145 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	126.077421	125.2
[M+Na]+	148.059363	133.8
[M-H]-	124.062869	121.2
[M+NH4]+	143.103968	142.3
[M+K]+	164.033303	131.5
[M+H-H2O]+	108.067405	116.1
[M+HCOO]-	170.068346	140.9
[M+CH3COO]-	184.083996	136.8
[M+Na-2H]-	146.044811	133.4
[M]+	125.06959642	120.7
[M]-	125.07069358	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe