CID 121691

1-ethynylcyclohexylamine

Structural Information

Molecular Formula
C8H13N
SMILES
C#CC1(CCCCC1)N
InChI
InChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h1H,3-7,9H2
InChIKey
GDKOYYDQISQOMH-UHFFFAOYSA-N
Compound name
1-ethynylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

894
Patents

123.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 128.6
[M+Na]+ 146.09402 136.9
[M-H]- 122.09752 130.3
[M+NH4]+ 141.13862 149.7
[M+K]+ 162.06796 132.8
[M+H-H2O]+ 106.10206 118.3
[M+HCOO]- 168.10300 144.3
[M+CH3COO]- 182.11865 180.6
[M+Na-2H]- 144.07947 133.9
[M]+ 123.10425 117.3
[M]- 123.10535 117.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe