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

20
Patents

112.03851 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04579 118.2
[M+Na]+ 135.02773 129.4
[M-H]- 111.03123 117.1
[M+NH4]+ 130.07233 137.5
[M+K]+ 151.00167 128.8
[M+H-H2O]+ 95.035770 110.4
[M+HCOO]- 157.03671 140.5
[M+CH3COO]- 171.05236 167.0
[M+Na-2H]- 133.01318 126.1
[M]+ 112.03796 119.8
[M]- 112.03906 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