CID 55284350

2703749-21-5

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C[C@H]([C@H](C=C1)O)N
InChI
InChI=1S/C6H11NO/c7-5-3-1-2-4-6(5)8/h2,4-6,8H,1,3,7H2/t5-,6+/m1/s1
InChIKey
BGAYNOVOXAPPBM-RITPCOANSA-N
Compound name
(1S,6R)-6-aminocyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 121.8
[M+Na]+ 136.07328 128.1
[M-H]- 112.07678 123.5
[M+NH4]+ 131.11788 143.3
[M+K]+ 152.04722 126.5
[M+H-H2O]+ 96.081320 116.9
[M+HCOO]- 158.08226 143.5
[M+CH3COO]- 172.09791 167.5
[M+Na-2H]- 134.05873 127.6
[M]+ 113.08351 115.9
[M]- 113.08461 115.9
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.