CID 53629842

(1s,5s)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-ol;hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
CN1[C@H]2CC[C@@]1(C=CC2)O
InChI
InChI=1S/C8H13NO/c1-9-7-3-2-5-8(9,10)6-4-7/h2,5,7,10H,3-4,6H2,1H3/t7-,8-/m1/s1
InChIKey
HWACEPZXFJTFSW-HTQZYQBOSA-N
Compound name
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

139.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 129.2
[M+Na]+ 162.088938 137.3
[M-H]- 138.092444 129.5
[M+NH4]+ 157.133543 154.5
[M+K]+ 178.062878 135.1
[M+H-H2O]+ 122.096980 124.5
[M+HCOO]- 184.097921 147.6
[M+CH3COO]- 198.113571 170.7
[M+Na-2H]- 160.074386 136.4
[M]+ 139.09917142 126.7
[M]- 139.10026858 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe