CID 54593385

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

Structural Information

Molecular Formula
C4H9N5
SMILES
CC1=NN=NN1CCN
InChI
InChI=1S/C4H9N5/c1-4-6-7-8-9(4)3-2-5/h2-3,5H2,1H3
InChIKey
KKBKDJXIELANNO-UHFFFAOYSA-N
Compound name
2-(5-methyltetrazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.08579 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.09307 124.3
[M+Na]+ 150.07501 135.0
[M+NH4]+ 145.11961 130.9
[M+K]+ 166.04895 132.4
[M-H]- 126.07851 123.5
[M+Na-2H]- 148.06046 129.6
[M]+ 127.08524 125.2
[M]- 127.08634 125.2
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

No patent data available for this compound.