CID 12205108

(2-methyl-5-tetrazolyl)methanol

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

59
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 120.6
[M+Na]+ 137.04338 132.1
[M+NH4]+ 132.08798 127.1
[M+K]+ 153.01732 129.8
[M-H]- 113.04688 118.8
[M+Na-2H]- 135.02883 125.8
[M]+ 114.05361 121.4
[M]- 114.05471 121.4
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