CID 135890462

1-(4-aminophenyl)-4,5-dihydro-1h-1,2,3,4-tetrazol-5-one

Structural Information

Molecular Formula
C7H7N5O
SMILES
C1=CC(=CC=C1N)N2C(=O)NN=N2
InChI
InChI=1S/C7H7N5O/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,8H2,(H,9,11,13)
InChIKey
OKAOEKKGMDHTRG-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)-1H-tetrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.06506 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07234 135.0
[M+Na]+ 200.05428 145.5
[M-H]- 176.05778 135.8
[M+NH4]+ 195.09888 150.3
[M+K]+ 216.02822 141.3
[M+H-H2O]+ 160.06232 126.1
[M+HCOO]- 222.06326 156.5
[M+CH3COO]- 236.07891 147.6
[M+Na-2H]- 198.03973 141.6
[M]+ 177.06451 132.4
[M]- 177.06561 132.4
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

No patent data available for this compound.