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 173.6
[M+Na]+ 324.19342 180.4
[M-H]- 300.19692 179.8
[M+NH4]+ 319.23802 197.8
[M+K]+ 340.16736 176.4
[M+H-H2O]+ 284.20146 168.7
[M+HCOO]- 346.20240 193.7
[M+CH3COO]- 360.21805 207.7
[M+Na-2H]- 322.17887 174.8
[M]+ 301.20365 175.0
[M]- 301.20475 175.0
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.