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]+ 272.200876 165.7
[M+Na]+ 294.182818 173.4
[M-H]- 270.186324 172.1
[M+NH4]+ 289.227423 180.5
[M+K]+ 310.156758 168.1
[M+H-H2O]+ 254.190860 158.8
[M+HCOO]- 316.191801 180.7
[M+CH3COO]- 330.207451 176.0
[M+Na-2H]- 292.168266 167.6
[M]+ 271.19305142 164.7
[M]- 271.19414858 164.7
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