CID 12402564

1-(methoxymethyl)cyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C8H13NO
SMILES
COCC1(CCCC1)C#N
InChI
InChI=1S/C8H13NO/c1-10-7-8(6-9)4-2-3-5-8/h2-5,7H2,1H3
InChIKey
VMKUBLDLSKRVDQ-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

139.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.9
[M+Na]+ 162.088938 138.3
[M-H]- 138.092444 132.2
[M+NH4]+ 157.133543 151.8
[M+K]+ 178.062878 135.6
[M+H-H2O]+ 122.096980 117.9
[M+HCOO]- 184.097921 148.6
[M+CH3COO]- 198.113571 185.3
[M+Na-2H]- 160.074386 134.6
[M]+ 139.09917142 123.3
[M]- 139.10026858 123.3
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

patents stripe