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]+ 138.091336 115.7
[M+Na]+ 160.073278 122.4
[M-H]- 136.076784 120.4
[M+NH4]+ 155.117883 125.0
[M+K]+ 176.047218 127.2
[M+H-H2O]+ 120.081320 99.0
[M+HCOO]- 182.082261 130.8
[M+CH3COO]- 196.097911 195.9
[M+Na-2H]- 158.058726 122.2
[M]+ 137.08351142 124.1
[M]- 137.08460858 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.