CID 114401635

135767-82-7

Structural Information

Molecular Formula
C4H8ClN
SMILES
C1C(CC1Cl)N
InChI
InChI=1S/C4H8ClN/c5-3-1-4(6)2-3/h3-4H,1-2,6H2
InChIKey
PDZYRHPVCWHKOD-UHFFFAOYSA-N
Compound name
3-chlorocyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

105.03453 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.041806 114.5
[M+Na]+ 128.023748 122.0
[M-H]- 104.027254 117.8
[M+NH4]+ 123.068353 131.7
[M+K]+ 143.997688 122.6
[M+H-H2O]+ 88.031790 106.0
[M+HCOO]- 150.032731 133.3
[M+CH3COO]- 164.048381 171.9
[M+Na-2H]- 126.009196 120.7
[M]+ 105.03398142 121.2
[M]- 105.03507858 121.2
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