CID 23359140

2229437-85-6

Structural Information

Molecular Formula
C4H8N4O
SMILES
CC(CC1=NNN=N1)O
InChI
InChI=1S/C4H8N4O/c1-3(9)2-4-5-7-8-6-4/h3,9H,2H2,1H3,(H,5,6,7,8)
InChIKey
KFOBPTVHRXOQGO-UHFFFAOYSA-N
Compound name
1-(2H-tetrazol-5-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

128.06981 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 125.9
[M+Na]+ 151.059028 134.3
[M-H]- 127.062534 121.7
[M+NH4]+ 146.103633 142.9
[M+K]+ 167.032968 132.7
[M+H-H2O]+ 111.067070 118.0
[M+HCOO]- 173.068011 143.7
[M+CH3COO]- 187.083661 165.4
[M+Na-2H]- 149.044476 131.8
[M]+ 128.06926142 123.8
[M]- 128.07035858 123.8
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

patents stripe