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 132.8
[M+Na]+ 176.10459 141.9
[M-H]- 152.10809 136.0
[M+NH4]+ 171.14919 155.2
[M+K]+ 192.07853 138.9
[M+H-H2O]+ 136.11263 121.6
[M+HCOO]- 198.11357 152.2
[M+CH3COO]- 212.12922 188.0
[M+Na-2H]- 174.09004 138.1
[M]+ 153.11482 127.6
[M]- 153.11592 127.6
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.