CID 363886

Myristoyl tetrazole

Structural Information

Molecular Formula

C₁₄H₂₈N₄

SMILES

CCCCCCCCCCCCCC1=NNN=N1

InChI

InChI=1S/C14H28N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18-16-14/h2-13H2,1H3,(H,15,16,17,18)

InChIKey

RTWHYWRWPCJLMG-UHFFFAOYSA-N

Compound name

5-tridecyl-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 252.2314 Da
Monoisotopic Mass: 6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.23868	165.4
[M+Na]+	275.22062	170.2
[M-H]-	251.22412	160.6
[M+NH4]+	270.26522	178.2
[M+K]+	291.19456	166.1
[M+H-H2O]+	235.22866	155.3
[M+HCOO]-	297.22960	182.2
[M+CH3COO]-	311.24525	194.9
[M+Na-2H]-	273.20607	167.9
[M]+	252.23085	168.0
[M]-	252.23195	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe