CID 13789262

37468-62-5

Structural Information

Molecular Formula
C3H4N4O
SMILES
CN1C(=NN=N1)C=O
InChI
InChI=1S/C3H4N4O/c1-7-3(2-8)4-5-6-7/h2H,1H3
InChIKey
OIRFPYLJEYADCW-UHFFFAOYSA-N
Compound name
1-methyltetrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

112.03851 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.045786 118.2
[M+Na]+ 135.027728 129.4
[M-H]- 111.031234 117.1
[M+NH4]+ 130.072333 137.5
[M+K]+ 151.001668 128.8
[M+H-H2O]+ 95.035770 110.4
[M+HCOO]- 157.036711 140.5
[M+CH3COO]- 171.052361 167.0
[M+Na-2H]- 133.013176 126.1
[M]+ 112.03796142 119.8
[M]- 112.03905858 119.8
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