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 145.3
[M+Na]+ 220.16718 154.5
[M-H]- 196.17068 151.0
[M+NH4]+ 215.21178 165.1
[M+K]+ 236.14112 153.6
[M+H-H2O]+ 180.17522 141.9
[M+HCOO]- 242.17616 163.8
[M+CH3COO]- 256.19181 194.8
[M+Na-2H]- 218.15263 150.4
[M]+ 197.17741 148.1
[M]- 197.17851 148.1
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.