CID 80562313

3-amino-1-ethynylcyclohexan-1-ol

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CC1(CCCC(C1)N)O
InChI
InChI=1S/C8H13NO/c1-2-8(10)5-3-4-7(9)6-8/h1,7,10H,3-6,9H2
InChIKey
JTNKCPPDRFMMPB-UHFFFAOYSA-N
Compound name
3-amino-1-ethynylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 132.1
[M+Na]+ 162.08894 140.7
[M-H]- 138.09244 132.8
[M+NH4]+ 157.13354 152.2
[M+K]+ 178.06288 136.5
[M+H-H2O]+ 122.09698 122.2
[M+HCOO]- 184.09792 146.6
[M+CH3COO]- 198.11357 181.1
[M+Na-2H]- 160.07439 136.3
[M]+ 139.09917 120.7
[M]- 139.10027 120.7
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.