CID 54594003

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

Structural Information

Molecular Formula
C4H7N5
SMILES
C1CC1(C2=NNN=N2)N
InChI
InChI=1S/C4H7N5/c5-4(1-2-4)3-6-8-9-7-3/h1-2,5H2,(H,6,7,8,9)
InChIKey
SVOLEXMNCRMWRG-UHFFFAOYSA-N
Compound name
1-(2H-tetrazol-5-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

125.070145 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.077421 132.6
[M+Na]+ 148.059363 143.7
[M-H]- 124.062869 133.7
[M+NH4]+ 143.103968 147.0
[M+K]+ 164.033303 140.2
[M+H-H2O]+ 108.067405 124.8
[M+HCOO]- 170.068346 153.5
[M+CH3COO]- 184.083996 144.9
[M+Na-2H]- 146.044811 140.2
[M]+ 125.06959642 131.4
[M]- 125.07069358 131.4
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

patents stripe