CID 115864

Brn 2725257

Structural Information

Molecular Formula
C13H21NO2
SMILES
C1CCC(CC1)(C#N)OC2(CCCCC2)O
InChI
InChI=1S/C13H21NO2/c14-11-12(7-3-1-4-8-12)16-13(15)9-5-2-6-10-13/h15H,1-10H2
InChIKey
GDJRVSBCGACHTI-UHFFFAOYSA-N
Compound name
1-(1-hydroxycyclohexyl)oxycyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 153.4
[M+Na]+ 246.14645 159.8
[M-H]- 222.14995 157.1
[M+NH4]+ 241.19105 172.2
[M+K]+ 262.12039 154.1
[M+H-H2O]+ 206.15449 141.7
[M+HCOO]- 268.15543 166.0
[M+CH3COO]- 282.17108 195.2
[M+Na-2H]- 244.13190 157.7
[M]+ 223.15668 141.5
[M]- 223.15778 141.5
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.