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 161.5
[M+Na]+ 287.09216 169.3
[M-H]- 263.09566 164.3
[M+NH4]+ 282.13676 179.7
[M+K]+ 303.06610 164.0
[M+H-H2O]+ 247.10020 154.0
[M+HCOO]- 309.10114 172.5
[M+CH3COO]- 323.11679 172.3
[M+Na-2H]- 285.07761 162.7
[M]+ 264.10239 160.5
[M]- 264.10349 160.5
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.