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]+ 180.174676 143.6
[M+Na]+ 202.156618 149.0
[M-H]- 178.160124 145.8
[M+NH4]+ 197.201223 161.4
[M+K]+ 218.130558 146.3
[M+H-H2O]+ 162.164660 131.4
[M+HCOO]- 224.165601 158.0
[M+CH3COO]- 238.181251 196.4
[M+Na-2H]- 200.142066 145.1
[M]+ 179.16685142 134.6
[M]- 179.16794858 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.