CID 91214723

(1s,4s)-2-(4-methoxyphenyl)-2,5-diazabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C12H16N2O
SMILES
COC1=CC=C(C=C1)N2C[C@@H]3C[C@H]2CN3
InChI
InChI=1S/C12H16N2O/c1-15-12-4-2-10(3-5-12)14-8-9-6-11(14)7-13-9/h2-5,9,11,13H,6-8H2,1H3/t9-,11-/m0/s1
InChIKey
IACCJBSRBQSTTF-ONGXEEELSA-N
Compound name
(1S,4S)-2-(4-methoxyphenyl)-2,5-diazabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

204.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.2
[M+Na]+ 227.11549 153.6
[M-H]- 203.11899 148.4
[M+NH4]+ 222.16009 167.1
[M+K]+ 243.08943 150.0
[M+H-H2O]+ 187.12353 139.3
[M+HCOO]- 249.12447 164.3
[M+CH3COO]- 263.14012 158.2
[M+Na-2H]- 225.10094 148.8
[M]+ 204.12572 144.1
[M]- 204.12682 144.1
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