CID 418800

98280-67-2

Structural Information

Molecular Formula
C6H12ClN
SMILES
C1CCC(C(C1)N)Cl
InChI
InChI=1S/C6H12ClN/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,8H2
InChIKey
RTZWBJIYBWNJMR-UHFFFAOYSA-N
Compound name
2-chlorocyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

133.06583 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.073106 127.1
[M+Na]+ 156.055048 133.4
[M-H]- 132.058554 129.5
[M+NH4]+ 151.099653 149.2
[M+K]+ 172.028988 130.5
[M+H-H2O]+ 116.063090 122.8
[M+HCOO]- 178.064031 144.0
[M+CH3COO]- 192.079681 172.4
[M+Na-2H]- 154.040496 131.8
[M]+ 133.06528142 122.0
[M]- 133.06637858 122.0
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