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 127.2
[M+Na]+ 146.09402 135.2
[M-H]- 122.09752 128.8
[M+NH4]+ 141.13862 146.7
[M+K]+ 162.06796 131.7
[M+H-H2O]+ 106.10206 116.4
[M+HCOO]- 168.10300 142.9
[M+CH3COO]- 182.11865 182.0
[M+Na-2H]- 144.07947 131.0
[M]+ 123.10425 115.9
[M]- 123.10535 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.