CID 84647949

2174002-65-2

Structural Information

Molecular Formula
C4H9N5
SMILES
CC(C1=NN(N=N1)C)N
InChI
InChI=1S/C4H9N5/c1-3(5)4-6-8-9(2)7-4/h3H,5H2,1-2H3
InChIKey
PJBMSGZXZAYLMO-UHFFFAOYSA-N
Compound name
1-(2-methyltetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.08579 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.093066 125.7
[M+Na]+ 150.075008 135.2
[M-H]- 126.078514 124.2
[M+NH4]+ 145.119613 143.9
[M+K]+ 166.048948 134.3
[M+H-H2O]+ 110.083050 117.4
[M+HCOO]- 172.083991 146.8
[M+CH3COO]- 186.099641 173.8
[M+Na-2H]- 148.060456 131.4
[M]+ 127.08524142 124.6
[M]- 127.08633858 124.6
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.