CID 83815002

(2-ethyl-2h-1,2,3,4-tetrazol-5-yl)methanol

Structural Information

Molecular Formula
C4H8N4O
SMILES
CCN1N=C(N=N1)CO
InChI
InChI=1S/C4H8N4O/c1-2-8-6-4(3-9)5-7-8/h9H,2-3H2,1H3
InChIKey
LMKXAWPUZDGLEC-UHFFFAOYSA-N
Compound name
(2-ethyltetrazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.06981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 124.8
[M+Na]+ 151.059028 134.8
[M-H]- 127.062534 122.1
[M+NH4]+ 146.103633 142.8
[M+K]+ 167.032968 133.6
[M+H-H2O]+ 111.067070 116.9
[M+HCOO]- 173.068011 145.1
[M+CH3COO]- 187.083661 168.2
[M+Na-2H]- 149.044476 131.6
[M]+ 128.06926142 125.5
[M]- 128.07035858 125.5
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