CID 50988346

Ethyl(1h-1,2,3,4-tetrazol-5-ylmethyl)amine dihydrochloride

Structural Information

Molecular Formula
C4H9N5
SMILES
CCNCC1=NNN=N1
InChI
InChI=1S/C4H9N5/c1-2-5-3-4-6-8-9-7-4/h5H,2-3H2,1H3,(H,6,7,8,9)
InChIKey
JMLYNIHKSHWTTD-UHFFFAOYSA-N
Compound name
N-(2H-tetrazol-5-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

127.08579 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.09307 125.1
[M+Na]+ 150.07501 133.3
[M-H]- 126.07851 122.1
[M+NH4]+ 145.11961 142.5
[M+K]+ 166.04895 131.6
[M+H-H2O]+ 110.08305 116.5
[M+HCOO]- 172.08399 146.2
[M+CH3COO]- 186.09964 169.9
[M+Na-2H]- 148.06046 133.3
[M]+ 127.08524 123.3
[M]- 127.08634 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