CID 11780161

130194-96-6

Structural Information

Molecular Formula
C16H19NO2
SMILES
C[C@H](C1=CC=CC=C1)N2[C@H]3C[C@@H]([C@H]2C(=O)OC)C=C3
InChI
InChI=1S/C16H19NO2/c1-11(12-6-4-3-5-7-12)17-14-9-8-13(10-14)15(17)16(18)19-2/h3-9,11,13-15H,10H2,1-2H3/t11-,13+,14-,15+/m1/s1
InChIKey
PWUWUKQPSOGOPL-BEAPCOKYSA-N
Compound name
methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

257.14157 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 162.3
[M+Na]+ 280.13079 168.9
[M-H]- 256.13429 167.3
[M+NH4]+ 275.17539 183.0
[M+K]+ 296.10473 166.1
[M+H-H2O]+ 240.13883 155.9
[M+HCOO]- 302.13977 181.6
[M+CH3COO]- 316.15542 196.7
[M+Na-2H]- 278.11624 162.1
[M]+ 257.14102 163.7
[M]- 257.14212 163.7
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

patents stripe