CID 127013447

3-{[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}propan-1-ol

Structural Information

Molecular Formula
C7H9N5O
SMILES
C1=C(C=NC2=NN=NN21)CCCO
InChI
InChI=1S/C7H9N5O/c13-3-1-2-6-4-8-7-9-10-11-12(7)5-6/h4-5,13H,1-3H2
InChIKey
RDTLOPFNCAFDPN-UHFFFAOYSA-N
Compound name
3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.0807 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 136.7
[M+Na]+ 202.06992 148.0
[M-H]- 178.07342 133.8
[M+NH4]+ 197.11452 152.3
[M+K]+ 218.04386 144.5
[M+H-H2O]+ 162.07796 127.7
[M+HCOO]- 224.07890 155.9
[M+CH3COO]- 238.09455 149.0
[M+Na-2H]- 200.05537 145.9
[M]+ 179.08015 139.3
[M]- 179.08125 139.3
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.