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
cis-(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]+ 124.112076 127.2
[M+Na]+ 146.094018 135.2
[M-H]- 122.097524 128.8
[M+NH4]+ 141.138623 146.7
[M+K]+ 162.067958 131.7
[M+H-H2O]+ 106.102060 116.4
[M+HCOO]- 168.103001 142.9
[M+CH3COO]- 182.118651 182.0
[M+Na-2H]- 144.079466 131.0
[M]+ 123.10425142 115.9
[M]- 123.10534858 115.9
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.