CID 3111211

489402-47-3

Structural Information

Molecular Formula
C17H23NO
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2CC3CCC2C3)C
InChI
InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKey
SIQGKPGBLYKQBB-UHFFFAOYSA-N
Compound name
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

154
Patents

257.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 163.4
[M+Na]+ 280.167198 170.0
[M-H]- 256.170704 169.8
[M+NH4]+ 275.211803 185.8
[M+K]+ 296.141138 165.9
[M+H-H2O]+ 240.175240 158.2
[M+HCOO]- 302.176181 184.0
[M+CH3COO]- 316.191831 201.8
[M+Na-2H]- 278.152646 162.3
[M]+ 257.17743142 162.5
[M]- 257.17852858 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe