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

10
Patents

127.08579 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.09307 124.6
[M+Na]+ 150.07501 134.6
[M+NH4]+ 145.11961 130.9
[M+K]+ 166.04895 131.8
[M-H]- 126.07851 123.3
[M+Na-2H]- 148.06046 129.9
[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

patents stripe