CID 12402570

1-(2-methoxyethyl)cyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C9H15NO
SMILES
COCCC1(CCCC1)C#N
InChI
InChI=1S/C9H15NO/c1-11-7-6-9(8-10)4-2-3-5-9/h2-7H2,1H3
InChIKey
QTZUPULLQCGHQP-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 133.8
[M+Na]+ 176.10459 143.1
[M+NH4]+ 171.14919 140.3
[M+K]+ 192.07853 133.9
[M-H]- 152.10809 127.8
[M+Na-2H]- 174.09004 137.3
[M]+ 153.11482 132.6
[M]- 153.11592 132.6
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.