CID 145867311

Rac-(1r,3s)-3-ethynylcyclohexan-1-amine

Structural Information

Molecular Formula
C8H13N
SMILES
C#C[C@H]1CCC[C@H](C1)N
InChI
InChI=1S/C8H13N/c1-2-7-4-3-5-8(9)6-7/h1,7-8H,3-6,9H2/t7-,8+/m0/s1
InChIKey
FVBNJDBTDHTRSY-JGVFFNPUSA-N
Compound name
(1R,3S)-3-ethynylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 129.5
[M+Na]+ 146.09402 139.8
[M+NH4]+ 141.13862 135.2
[M+K]+ 162.06796 130.6
[M-H]- 122.09752 124.3
[M+Na-2H]- 144.07947 131.9
[M]+ 123.10425 128.5
[M]- 123.10535 128.5
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.