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

14
Patents

128.06981 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07709 124.8
[M+Na]+ 151.05903 134.8
[M-H]- 127.06253 122.1
[M+NH4]+ 146.10363 142.8
[M+K]+ 167.03297 133.6
[M+H-H2O]+ 111.06707 116.9
[M+HCOO]- 173.06801 145.1
[M+CH3COO]- 187.08366 168.2
[M+Na-2H]- 149.04448 131.6
[M]+ 128.06926 125.5
[M]- 128.07036 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