CID 167742050

1-(3-bromopropyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C8H12BrN
SMILES
C1CC(C1)(CCCBr)C#N
InChI
InChI=1S/C8H12BrN/c9-6-2-5-8(7-10)3-1-4-8/h1-6H2
InChIKey
SJQFQRSGMZJGTM-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02258 122.1
[M+Na]+ 224.00452 133.5
[M-H]- 200.00802 127.2
[M+NH4]+ 219.04912 139.1
[M+K]+ 239.97846 126.4
[M+H-H2O]+ 184.01256 113.4
[M+HCOO]- 246.01350 141.0
[M+CH3COO]- 260.02915 197.2
[M+Na-2H]- 221.98997 131.0
[M]+ 201.01475 140.9
[M]- 201.01585 140.9
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.