CID 17601012

841288-49-1

Structural Information

Molecular Formula
C7H8N6
SMILES
C1=CC(=C(C=C1C2=NNN=N2)N)N
InChI
InChI=1S/C7H8N6/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,8-9H2,(H,10,11,12,13)
InChIKey
NMSNDQYLVCJWOY-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

176.08104 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08832 135.6
[M+Na]+ 199.07026 145.1
[M-H]- 175.07376 135.9
[M+NH4]+ 194.11486 150.5
[M+K]+ 215.04420 140.5
[M+H-H2O]+ 159.07830 126.4
[M+HCOO]- 221.07924 157.2
[M+CH3COO]- 235.09489 147.6
[M+Na-2H]- 197.05571 141.9
[M]+ 176.08049 130.8
[M]- 176.08159 130.8
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