CID 212639

24629-64-9

Structural Information

Molecular Formula
C19H27NO2
SMILES
CC1(C2CCC1(C(C2)NCC3=CC=C(C=C3)C(=O)OC)C)C
InChI
InChI=1S/C19H27NO2/c1-18(2)15-9-10-19(18,3)16(11-15)20-12-13-5-7-14(8-6-13)17(21)22-4/h5-8,15-16,20H,9-12H2,1-4H3
InChIKey
CXBSZOLCZVHLIV-UHFFFAOYSA-N
Compound name
methyl 4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 172.9
[M+Na]+ 324.19342 181.5
[M+NH4]+ 319.23802 184.1
[M+K]+ 340.16736 174.7
[M-H]- 300.19692 175.4
[M+Na-2H]- 322.17887 178.0
[M]+ 301.20365 174.9
[M]- 301.20475 174.9
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.