CID 12205108

55408-40-7

Structural Information

Molecular Formula
C3H6N4O
SMILES
CN1N=C(N=N1)CO
InChI
InChI=1S/C3H6N4O/c1-7-5-3(2-8)4-6-7/h8H,2H2,1H3
InChIKey
XUJXRLKUQPFUOU-UHFFFAOYSA-N
Compound name
(2-methyltetrazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

114.05416 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06144 120.3
[M+Na]+ 137.04338 130.8
[M-H]- 113.04688 117.8
[M+NH4]+ 132.08798 138.9
[M+K]+ 153.01732 129.8
[M+H-H2O]+ 97.051420 112.7
[M+HCOO]- 159.05236 140.9
[M+CH3COO]- 173.06801 165.2
[M+Na-2H]- 135.02883 127.7
[M]+ 114.05361 120.7
[M]- 114.05471 120.7
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