CID 115757010

(cyclohexylmethyl)(pent-4-yn-1-yl)amine

Structural Information

Molecular Formula
C12H21N
SMILES
C#CCCCNCC1CCCCC1
InChI
InChI=1S/C12H21N/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h1,12-13H,3-11H2
InChIKey
INJDZSCWTCMMSV-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)pent-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.174676 142.2
[M+Na]+ 202.156618 147.8
[M-H]- 178.160124 143.1
[M+NH4]+ 197.201223 159.6
[M+K]+ 218.130558 143.5
[M+H-H2O]+ 162.164660 130.3
[M+HCOO]- 224.165601 157.2
[M+CH3COO]- 238.181251 192.5
[M+Na-2H]- 200.142066 145.7
[M]+ 179.16685142 132.8
[M]- 179.16794858 132.8
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.