CID 101454

Faunatrol

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

CC#CC(C)(C)N(C)C

InChI

InChI=1S/C8H15N/c1-6-7-8(2,3)9(4)5/h1-5H3

InChIKey

KSJZYHGTWRFPEQ-UHFFFAOYSA-N

Compound name

N,N,2-trimethylpent-3-yn-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 125.12045 Da
Monoisotopic Mass: 1.5
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]+	126.127726	129.7
[M+Na]+	148.109668	138.3
[M-H]-	124.113174	130.9
[M+NH4]+	143.154273	150.3
[M+K]+	164.083608	138.2
[M+H-H2O]+	108.117710	119.4
[M+HCOO]-	170.118651	147.3
[M+CH3COO]-	184.134301	188.0
[M+Na-2H]-	146.095116	135.1
[M]+	125.11990142	125.6
[M]-	125.12099858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe