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]+ 180.17468 142.2
[M+Na]+ 202.15662 147.8
[M-H]- 178.16012 143.1
[M+NH4]+ 197.20122 159.6
[M+K]+ 218.13056 143.5
[M+H-H2O]+ 162.16466 130.3
[M+HCOO]- 224.16560 157.2
[M+CH3COO]- 238.18125 192.5
[M+Na-2H]- 200.14207 145.7
[M]+ 179.16685 132.8
[M]- 179.16795 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.