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

49
Patents

114.05416 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.061436 120.3
[M+Na]+ 137.043378 130.8
[M-H]- 113.046884 117.8
[M+NH4]+ 132.087983 138.9
[M+K]+ 153.017318 129.8
[M+H-H2O]+ 97.051420 112.7
[M+HCOO]- 159.052361 140.9
[M+CH3COO]- 173.068011 165.2
[M+Na-2H]- 135.028826 127.7
[M]+ 114.05361142 120.7
[M]- 114.05470858 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