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

literature stripe

Patent stripe

patents stripe