CID 55298189

1-(chloromethyl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C6H8ClN
SMILES
C1CC(C1)(CCl)C#N
InChI
InChI=1S/C6H8ClN/c7-4-6(5-8)2-1-3-6/h1-4H2
InChIKey
QWXSUWMUUSDCIV-UHFFFAOYSA-N
Compound name
1-(chloromethyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

129.03453 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04181 116.3
[M+Na]+ 152.02375 126.2
[M-H]- 128.02725 120.4
[M+NH4]+ 147.06835 133.3
[M+K]+ 167.99769 126.2
[M+H-H2O]+ 112.03179 103.4
[M+HCOO]- 174.03273 131.8
[M+CH3COO]- 188.04838 186.5
[M+Na-2H]- 150.00920 124.5
[M]+ 129.03398 120.1
[M]- 129.03508 120.1
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

patents stripe