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]+ 128.09307 125.7
[M+Na]+ 150.07501 135.2
[M-H]- 126.07851 124.2
[M+NH4]+ 145.11961 143.9
[M+K]+ 166.04895 134.3
[M+H-H2O]+ 110.08305 117.4
[M+HCOO]- 172.08399 146.8
[M+CH3COO]- 186.09964 173.8
[M+Na-2H]- 148.06046 131.4
[M]+ 127.08524 124.6
[M]- 127.08634 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.