CID 26722

14526-99-9

Structural Information

Molecular Formula

C₁₂H₂₃N

SMILES

CCCCCCC(C)N(C)CC#C

InChI

InChI=1S/C12H23N/c1-5-7-8-9-10-12(3)13(4)11-6-2/h2,12H,5,7-11H2,1,3-4H3

InChIKey

ZIEVEMJNFUFOKC-UHFFFAOYSA-N

Compound name

N-methyl-N-prop-2-ynyloctan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.18304 Da
Monoisotopic Mass: 3.7
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]+	182.19032	144.0
[M+Na]+	204.17226	150.5
[M-H]-	180.17576	144.2
[M+NH4]+	199.21686	162.3
[M+K]+	220.14620	149.3
[M+H-H2O]+	164.18030	132.4
[M+HCOO]-	226.18124	161.0
[M+CH3COO]-	240.19689	199.9
[M+Na-2H]-	202.15771	146.0
[M]+	181.18249	141.3
[M]-	181.18359	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe