CID 3073111

(+)-cis-4-n,n-dimethylamino-trans-3-hydroxy-cis-carane

Structural Information

Molecular Formula
C12H23NO
SMILES
C[C@@]1(C[C@H]2[C@H](C2(C)C)C[C@@H]1N(C)C)O
InChI
InChI=1S/C12H23NO/c1-11(2)8-6-10(13(4)5)12(3,14)7-9(8)11/h8-10,14H,6-7H2,1-5H3/t8-,9+,10+,12+/m1/s1
InChIKey
VAWBXLYZECJZSJ-WDCWCFNPSA-N
Compound name
(1S,3S,4S,6R)-4-(dimethylamino)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.17796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.18524 145.1
[M+Na]+ 220.16718 156.9
[M+NH4]+ 215.21178 157.5
[M+K]+ 236.14112 149.4
[M-H]- 196.17068 154.8
[M+Na-2H]- 218.15263 154.0
[M]+ 197.17741 151.0
[M]- 197.17851 151.0
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.