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]+ 246.18524 159.7
[M+Na]+ 268.16718 165.6
[M-H]- 244.17068 165.7
[M+NH4]+ 263.21178 183.9
[M+K]+ 284.14112 162.3
[M+H-H2O]+ 228.17522 154.3
[M+HCOO]- 290.17616 180.5
[M+CH3COO]- 304.19181 197.4
[M+Na-2H]- 266.15263 161.5
[M]+ 245.17741 158.6
[M]- 245.17851 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.