CID 131535757

1-(hydroxymethyl)-6-azaspiro[2.5]octane-1-carbonitrile hydrochloride

Structural Information

Molecular Formula
C9H14N2O
SMILES
C1CNCCC12CC2(CO)C#N
InChI
InChI=1S/C9H14N2O/c10-6-9(7-12)5-8(9)1-3-11-4-2-8/h11-12H,1-5,7H2
InChIKey
DEFSEEQXSODAPT-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-azaspiro[2.5]octane-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 137.1
[M+Na]+ 189.09983 151.7
[M-H]- 165.10333 141.4
[M+NH4]+ 184.14443 154.4
[M+K]+ 205.07377 144.5
[M+H-H2O]+ 149.10787 129.1
[M+HCOO]- 211.10881 152.4
[M+CH3COO]- 225.12446 187.7
[M+Na-2H]- 187.08528 145.8
[M]+ 166.11006 131.6
[M]- 166.11116 131.6
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.