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

15
Patents

128.06981 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07709 125.9
[M+Na]+ 151.05903 134.3
[M-H]- 127.06253 121.7
[M+NH4]+ 146.10363 142.9
[M+K]+ 167.03297 132.7
[M+H-H2O]+ 111.06707 118.0
[M+HCOO]- 173.06801 143.7
[M+CH3COO]- 187.08366 165.4
[M+Na-2H]- 149.04448 131.8
[M]+ 128.06926 123.8
[M]- 128.07036 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