CID 125451208

2307783-75-9

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1([C@H]2[C@@H]([C@@H]1O)CCCN2)C
InChI
InChI=1S/C9H17NO/c1-9(2)7-6(8(9)11)4-3-5-10-7/h6-8,10-11H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKey
GABLLWCXXIAHDD-RNJXMRFFSA-N
Compound name
(1R,6S,7S)-8,8-dimethyl-2-azabicyclo[4.2.0]octan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.8
[M+Na]+ 178.12023 141.7
[M-H]- 154.12373 136.1
[M+NH4]+ 173.16483 151.1
[M+K]+ 194.09417 141.9
[M+H-H2O]+ 138.12827 126.7
[M+HCOO]- 200.12921 150.1
[M+CH3COO]- 214.14486 177.0
[M+Na-2H]- 176.10568 140.9
[M]+ 155.13046 139.4
[M]- 155.13156 139.4
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.