CID 123716939

Bicyclo[5.1.0]octan-4-amine hydrochloride

Structural Information

Molecular Formula
C8H15N
SMILES
C1CC2CC2CCC1N
InChI
InChI=1S/C8H15N/c9-8-3-1-6-5-7(6)2-4-8/h6-8H,1-5,9H2
InChIKey
MSEYJZSHQKZRCS-UHFFFAOYSA-N
Compound name
bicyclo[5.1.0]octan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

125.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 117.2
[M+Na]+ 148.10967 122.9
[M-H]- 124.11317 122.8
[M+NH4]+ 143.15427 133.9
[M+K]+ 164.08361 124.7
[M+H-H2O]+ 108.11771 112.6
[M+HCOO]- 170.11865 137.5
[M+CH3COO]- 184.13430 129.9
[M+Na-2H]- 146.09512 123.9
[M]+ 125.11990 112.2
[M]- 125.12100 112.2
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