CID 14772412

33841-57-5

Structural Information

Molecular Formula
C3H7N5
SMILES
C(CN)C1=NNN=N1
InChI
InChI=1S/C3H7N5/c4-2-1-3-5-7-8-6-3/h1-2,4H2,(H,5,6,7,8)
InChIKey
MZYXHLMULHPGKX-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

327
Patents

113.070145 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.07742 120.9
[M+Na]+ 136.05936 129.6
[M-H]- 112.06287 117.5
[M+NH4]+ 131.10397 138.6
[M+K]+ 152.03330 127.7
[M+H-H2O]+ 96.067405 112.5
[M+HCOO]- 158.06835 141.7
[M+CH3COO]- 172.08400 166.2
[M+Na-2H]- 134.04481 128.5
[M]+ 113.06960 117.7
[M]- 113.07069 117.7
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