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

13
Patents

139.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 128.9
[M+Na]+ 162.08894 138.3
[M-H]- 138.09244 132.2
[M+NH4]+ 157.13354 151.8
[M+K]+ 178.06288 135.6
[M+H-H2O]+ 122.09698 117.9
[M+HCOO]- 184.09792 148.6
[M+CH3COO]- 198.11357 185.3
[M+Na-2H]- 160.07439 134.6
[M]+ 139.09917 123.3
[M]- 139.10027 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