CID 14204595

1-(bromomethyl)cyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C7H10BrN
SMILES
C1CCC(C1)(CBr)C#N
InChI
InChI=1S/C7H10BrN/c8-5-7(6-9)3-1-2-4-7/h1-5H2
InChIKey
RBFFITHVQYTUBF-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.99966 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00694 131.6
[M+Na]+ 209.98888 145.0
[M-H]- 185.99238 136.4
[M+NH4]+ 205.03348 155.7
[M+K]+ 225.96282 133.2
[M+H-H2O]+ 169.99692 126.2
[M+HCOO]- 231.99786 151.4
[M+CH3COO]- 246.01351 190.3
[M+Na-2H]- 207.97433 138.7
[M]+ 186.99911 141.6
[M]- 187.00021 141.6
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.