CID 167736645

6-ethynyl-2-azaspiro[3.3]heptan-6-ol hydrochloride

Structural Information

Molecular Formula
C8H11NO
SMILES
C#CC1(CC2(C1)CNC2)O
InChI
InChI=1S/C8H11NO/c1-2-8(10)3-7(4-8)5-9-6-7/h1,9-10H,3-6H2
InChIKey
VHTLDKILZCOICQ-UHFFFAOYSA-N
Compound name
6-ethynyl-2-azaspiro[3.3]heptan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 121.5
[M+Na]+ 160.073278 128.7
[M-H]- 136.076784 123.0
[M+NH4]+ 155.117883 130.4
[M+K]+ 176.047218 131.3
[M+H-H2O]+ 120.081320 105.9
[M+HCOO]- 182.082261 132.6
[M+CH3COO]- 196.097911 189.1
[M+Na-2H]- 158.058726 128.1
[M]+ 137.08351142 128.1
[M]- 137.08460858 128.1
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.