CID 5146781

(1h-1,2,3,4-tetrazol-5-yl)methanamine

Structural Information

Molecular Formula
C2H5N5
SMILES
C(C1=NNN=N1)N
InChI
InChI=1S/C2H5N5/c3-1-2-4-6-7-5-2/h1,3H2,(H,4,5,6,7)
InChIKey
ZHCLIFKUVIFYBY-UHFFFAOYSA-N
Compound name
2H-tetrazol-5-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

887
Patents

99.0545 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.061776 116.5
[M+Na]+ 122.043718 125.6
[M-H]- 98.047224 113.3
[M+NH4]+ 117.088323 134.8
[M+K]+ 138.017658 124.1
[M+H-H2O]+ 82.051760 108.4
[M+HCOO]- 144.052701 137.7
[M+CH3COO]- 158.068351 163.2
[M+Na-2H]- 120.029166 124.7
[M]+ 99.05395142 113.0
[M]- 99.05504858 113.0
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