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

5
Patents

105.03453 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.04181 114.5
[M+Na]+ 128.02375 122.0
[M-H]- 104.02725 117.8
[M+NH4]+ 123.06835 131.7
[M+K]+ 143.99769 122.6
[M+H-H2O]+ 88.031790 106.0
[M+HCOO]- 150.03273 133.3
[M+CH3COO]- 164.04838 171.9
[M+Na-2H]- 126.00920 120.7
[M]+ 105.03398 121.2
[M]- 105.03508 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