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]+ 198.185236 145.3
[M+Na]+ 220.167178 154.5
[M-H]- 196.170684 151.0
[M+NH4]+ 215.211783 165.1
[M+K]+ 236.141118 153.6
[M+H-H2O]+ 180.175220 141.9
[M+HCOO]- 242.176161 163.8
[M+CH3COO]- 256.191811 194.8
[M+Na-2H]- 218.152626 150.4
[M]+ 197.17741142 148.1
[M]- 197.17850858 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.