CID 112756532

{4,5-dimethyl-4h,7h-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-6-yl}methanol

Structural Information

Molecular Formula
C7H11N5O
SMILES
CC1=C(CN2C(=NN=N2)N1C)CO
InChI
InChI=1S/C7H11N5O/c1-5-6(4-13)3-12-7(11(5)2)8-9-10-12/h13H,3-4H2,1-2H3
InChIKey
XUPUPTAQSHLEMV-UHFFFAOYSA-N
Compound name
(4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidin-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.09636 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.103636 141.5
[M+Na]+ 204.085578 152.6
[M-H]- 180.089084 138.7
[M+NH4]+ 199.130183 157.4
[M+K]+ 220.059518 149.5
[M+H-H2O]+ 164.093620 133.0
[M+HCOO]- 226.094561 157.8
[M+CH3COO]- 240.110211 153.4
[M+Na-2H]- 202.071026 146.9
[M]+ 181.09581142 142.1
[M]- 181.09690858 142.1
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.