CID 126796998

2-methoxy-1-(1h-1,2,3,4-tetrazol-5-yl)ethan-1-amine

Structural Information

Molecular Formula
C4H9N5O
SMILES
COCC(C1=NNN=N1)N
InChI
InChI=1S/C4H9N5O/c1-10-2-3(5)4-6-8-9-7-4/h3H,2,5H2,1H3,(H,6,7,8,9)
InChIKey
JAOMCZDCXWZTMU-UHFFFAOYSA-N
Compound name
2-methoxy-1-(2H-tetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.0807 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08798 128.5
[M+Na]+ 166.06992 136.4
[M-H]- 142.07342 125.2
[M+NH4]+ 161.11452 144.9
[M+K]+ 182.04386 135.2
[M+H-H2O]+ 126.07796 119.9
[M+HCOO]- 188.07890 148.3
[M+CH3COO]- 202.09455 172.1
[M+Na-2H]- 164.05537 134.5
[M]+ 143.08015 126.5
[M]- 143.08125 126.5
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.