CID 42246

57269-18-8

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CN1C2CCC1CN(C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H17ClN2O/c1-16-12-6-7-13(16)9-17(8-12)14(18)10-2-4-11(15)5-3-10/h2-5,12-13H,6-9H2,1H3
InChIKey
IKHUSJCGKQISRF-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.10294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 158.9
[M+Na]+ 287.09216 171.8
[M+NH4]+ 282.13676 168.0
[M+K]+ 303.06610 165.9
[M-H]- 263.09566 161.1
[M+Na-2H]- 285.07761 163.0
[M]+ 264.10239 161.5
[M]- 264.10349 161.5
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.