CID 12205098

55408-47-4

Structural Information

Molecular Formula
C3H4N4O
SMILES
CN1N=C(N=N1)C=O
InChI
InChI=1S/C3H4N4O/c1-7-5-3(2-8)4-6-7/h2H,1H3
InChIKey
PPAQSZMPTHGKSE-UHFFFAOYSA-N
Compound name
2-methyltetrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

112.03851 Da
Monoisotopic Mass

-0.1
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

literature stripe

Patent stripe

patents stripe