CID 167721854

6-hydroxyspiro[3.3]heptane-2-carbonitrile

Structural Information

Molecular Formula
C8H11NO
SMILES
C1C(CC12CC(C2)O)C#N
InChI
InChI=1S/C8H11NO/c9-5-6-1-8(2-6)3-7(10)4-8/h6-7,10H,1-4H2
InChIKey
TWKPKSWNHVARRS-UHFFFAOYSA-N
Compound name
2-hydroxyspiro[3.3]heptane-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 115.7
[M+Na]+ 160.07328 122.4
[M-H]- 136.07678 120.4
[M+NH4]+ 155.11788 125.0
[M+K]+ 176.04722 127.2
[M+H-H2O]+ 120.08132 99.0
[M+HCOO]- 182.08226 130.8
[M+CH3COO]- 196.09791 195.9
[M+Na-2H]- 158.05873 122.2
[M]+ 137.08351 124.1
[M]- 137.08461 124.1
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.