CID 18404463

Methyl[2-(2h-1,2,3,4-tetrazol-5-yl)ethyl]amine dihydrochloride

Structural Information

Molecular Formula
C4H9N5
SMILES
CNCCC1=NNN=N1
InChI
InChI=1S/C4H9N5/c1-5-3-2-4-6-8-9-7-4/h5H,2-3H2,1H3,(H,6,7,8,9)
InChIKey
INHXDXHRLDILRK-UHFFFAOYSA-N
Compound name
N-methyl-2-(2H-tetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

127.08579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.093066 125.1
[M+Na]+ 150.075008 133.3
[M-H]- 126.078514 122.1
[M+NH4]+ 145.119613 142.5
[M+K]+ 166.048948 131.6
[M+H-H2O]+ 110.083050 116.5
[M+HCOO]- 172.083991 146.2
[M+CH3COO]- 186.099641 169.9
[M+Na-2H]- 148.060456 133.3
[M]+ 127.08524142 123.3
[M]- 127.08633858 123.3
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