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]+ 154.122646 132.8
[M+Na]+ 176.104588 141.9
[M-H]- 152.108094 136.0
[M+NH4]+ 171.149193 155.2
[M+K]+ 192.078528 138.9
[M+H-H2O]+ 136.112630 121.6
[M+HCOO]- 198.113571 152.2
[M+CH3COO]- 212.129221 188.0
[M+Na-2H]- 174.090036 138.1
[M]+ 153.11482142 127.6
[M]- 153.11591858 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.