CID 119590

Deramciclane

Structural Information

Molecular Formula
C20H31NO
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@@]2(C3=CC=CC=C3)OCCN(C)C
InChI
InChI=1S/C20H31NO/c1-18(2)17-11-12-19(18,3)20(15-17,22-14-13-21(4)5)16-9-7-6-8-10-16/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1
InChIKey
QOBGWWQAMAPULA-RLLQIKCJSA-N
Compound name
N,N-dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

41
References

1299
Patents

301.24057 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.24785 174.4
[M+Na]+ 324.22979 181.2
[M-H]- 300.23329 181.6
[M+NH4]+ 319.27439 201.0
[M+K]+ 340.20373 177.7
[M+H-H2O]+ 284.23783 168.9
[M+HCOO]- 346.23877 195.2
[M+CH3COO]- 360.25442 211.2
[M+Na-2H]- 322.21524 176.9
[M]+ 301.24002 177.2
[M]- 301.24112 177.2
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.