CID 202187

7665-86-3

Structural Information

Molecular Formula
C12H21N
SMILES
CC(C1CCCCC1)N(C)CC#C
InChI
InChI=1S/C12H21N/c1-4-10-13(3)11(2)12-8-6-5-7-9-12/h1,11-12H,5-10H2,2-3H3
InChIKey
MHLKPSPQFYMKOR-UHFFFAOYSA-N
Compound name
N-(1-cyclohexylethyl)-N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 143.6
[M+Na]+ 202.15662 149.0
[M-H]- 178.16012 145.8
[M+NH4]+ 197.20122 161.4
[M+K]+ 218.13056 146.3
[M+H-H2O]+ 162.16466 131.4
[M+HCOO]- 224.16560 158.0
[M+CH3COO]- 238.18125 196.4
[M+Na-2H]- 200.14207 145.1
[M]+ 179.16685 134.6
[M]- 179.16795 134.6
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.