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

11
Patents

125.070145 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07742 132.6
[M+Na]+ 148.05936 143.7
[M-H]- 124.06287 133.7
[M+NH4]+ 143.10397 147.0
[M+K]+ 164.03330 140.2
[M+H-H2O]+ 108.06740 124.8
[M+HCOO]- 170.06835 153.5
[M+CH3COO]- 184.08400 144.9
[M+Na-2H]- 146.04481 140.2
[M]+ 125.06960 131.4
[M]- 125.07069 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