CID 41801

6-azabicyclo(3.2.1)octane, 6-cyclopropylmethyl-1-(m-hydroxyphenyl)-7-methyl-, hydrochloride

Structural Information

Molecular Formula
C18H25NO
SMILES
CC1C2(CCCC(C2)N1CC3CC3)C4=CC(=CC=C4)O
InChI
InChI=1S/C18H25NO/c1-13-18(15-4-2-6-17(20)10-15)9-3-5-16(11-18)19(13)12-14-7-8-14/h2,4,6,10,13-14,16,20H,3,5,7-9,11-12H2,1H3
InChIKey
ZPJMGIBDKQCKMC-UHFFFAOYSA-N
Compound name
3-[6-(cyclopropylmethyl)-7-methyl-6-azabicyclo[3.2.1]octan-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 166.9
[M+Na]+ 294.18282 180.4
[M+NH4]+ 289.22742 178.6
[M+K]+ 310.15676 173.5
[M-H]- 270.18632 178.3
[M+Na-2H]- 292.16827 175.5
[M]+ 271.19305 173.4
[M]- 271.19415 173.4
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

patents stripe