CID 566622

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

Structural Information

Molecular Formula
C3H7N5
SMILES
CC(C1=NNN=N1)N
InChI
InChI=1S/C3H7N5/c1-2(4)3-5-7-8-6-3/h2H,4H2,1H3,(H,5,6,7,8)
InChIKey
NDMDHZMRQFSFOZ-UHFFFAOYSA-N
Compound name
1-(2H-tetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

113.070145 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.077421 121.6
[M+Na]+ 136.059363 130.1
[M-H]- 112.062869 118.5
[M+NH4]+ 131.103968 139.4
[M+K]+ 152.033303 128.7
[M+H-H2O]+ 96.067405 113.4
[M+HCOO]- 158.068346 141.5
[M+CH3COO]- 172.083996 167.1
[M+Na-2H]- 134.044811 128.1
[M]+ 113.06959642 117.9
[M]- 113.07069358 117.9
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