CID 11815442

1-methoxycyclohexane-1-carbonitrile

Structural Information

Molecular Formula
C8H13NO
SMILES
COC1(CCCCC1)C#N
InChI
InChI=1S/C8H13NO/c1-10-8(7-9)5-3-2-4-6-8/h2-6H2,1H3
InChIKey
SOQLZFRLDXMIES-UHFFFAOYSA-N
Compound name
1-methoxycyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

139.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.1
[M+Na]+ 162.08894 136.7
[M-H]- 138.09244 131.5
[M+NH4]+ 157.13354 149.5
[M+K]+ 178.06288 134.2
[M+H-H2O]+ 122.09698 117.3
[M+HCOO]- 184.09792 146.0
[M+CH3COO]- 198.11357 185.4
[M+Na-2H]- 160.07439 135.1
[M]+ 139.09917 120.8
[M]- 139.10027 120.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe