CID 207784

30788-80-8

Structural Information

Molecular Formula
C16H23NO
SMILES
CN(C)C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@]1(C3=CC=CC=C3)O
InChI
InChI=1S/C16H23NO/c1-17(2)11-15-12-8-9-14(10-12)16(15,18)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3/t12-,14+,15-,16-/m1/s1
InChIKey
HJPCEDOEKGVILT-SLBVQIDZSA-N
Compound name
(1S,2R,3S,4R)-3-[(dimethylamino)methyl]-2-phenylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.185236 159.7
[M+Na]+ 268.167178 165.6
[M-H]- 244.170684 165.7
[M+NH4]+ 263.211783 183.9
[M+K]+ 284.141118 162.3
[M+H-H2O]+ 228.175220 154.3
[M+HCOO]- 290.176161 180.5
[M+CH3COO]- 304.191811 197.4
[M+Na-2H]- 266.152626 161.5
[M]+ 245.17741142 158.6
[M]- 245.17850858 158.6
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.