CID 9865894

Schembl4651931

Structural Information

Molecular Formula
C19H29NO
SMILES
CC1(C2CCC1(C(C2)(C3=CC=CC=C3)OCCNC)C)C
InChI
InChI=1S/C19H29NO/c1-17(2)16-10-11-18(17,3)19(14-16,21-13-12-20-4)15-8-6-5-7-9-15/h5-9,16,20H,10-14H2,1-4H3
InChIKey
KTVWFUOXICTLAW-UHFFFAOYSA-N
Compound name
N-methyl-2-[(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

287.2249 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.23218 169.6
[M+Na]+ 310.21412 176.9
[M-H]- 286.21762 175.7
[M+NH4]+ 305.25872 196.3
[M+K]+ 326.18806 172.2
[M+H-H2O]+ 270.22216 164.4
[M+HCOO]- 332.22310 190.4
[M+CH3COO]- 346.23875 205.0
[M+Na-2H]- 308.19957 173.5
[M]+ 287.22435 171.1
[M]- 287.22545 171.1
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.