CID 62653688

1461705-04-3

Structural Information

Molecular Formula
C4H9N5
SMILES
CC(CN)C1=NNN=N1
InChI
InChI=1S/C4H9N5/c1-3(2-5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)
InChIKey
BNHJTBXWWVPJLU-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

127.08579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.093066 126.0
[M+Na]+ 150.075008 134.1
[M-H]- 126.078514 122.7
[M+NH4]+ 145.119613 143.2
[M+K]+ 166.048948 132.5
[M+H-H2O]+ 110.083050 117.6
[M+HCOO]- 172.083991 145.6
[M+CH3COO]- 186.099641 170.1
[M+Na-2H]- 148.060456 132.0
[M]+ 127.08524142 122.7
[M]- 127.08633858 122.7
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