CID 55283740

Rac-(1r,6s,7r)-bicyclo[4.1.0]hept-2-en-7-amine hydrochloride

Structural Information

Molecular Formula
C7H11N
SMILES
C1C[C@H]2[C@H]([C@@H]2N)C=C1
InChI
InChI=1S/C7H11N/c8-7-5-3-1-2-4-6(5)7/h1,3,5-7H,2,4,8H2/t5-,6+,7+/m1/s1
InChIKey
REDZBTSZFNLTGZ-VQVTYTSYSA-N
Compound name
(1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

109.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.096426 119.3
[M+Na]+ 132.078368 128.8
[M-H]- 108.081874 124.5
[M+NH4]+ 127.122973 138.1
[M+K]+ 148.052308 126.1
[M+H-H2O]+ 92.086410 114.0
[M+HCOO]- 154.087351 142.2
[M+CH3COO]- 168.103001 175.0
[M+Na-2H]- 130.063816 127.5
[M]+ 109.08860142 118.3
[M]- 109.08969858 118.3
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

No patent data available for this compound.