CID 13272709

1-methoxycyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
COC1(CCCC1)C#N
InChI
InChI=1S/C7H11NO/c1-9-7(6-8)4-2-3-5-7/h2-5H2,1H3
InChIKey
AIQQWPIHPKNKDO-UHFFFAOYSA-N
Compound name
1-methoxycyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.9
[M+Na]+ 148.07328 134.7
[M-H]- 124.07678 128.4
[M+NH4]+ 143.11788 148.3
[M+K]+ 164.04722 132.2
[M+H-H2O]+ 108.08132 114.1
[M+HCOO]- 170.08226 144.9
[M+CH3COO]- 184.09791 182.6
[M+Na-2H]- 146.05873 131.2
[M]+ 125.08351 119.1
[M]- 125.08461 119.1
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.