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]+ 205.133546 146.2
[M+Na]+ 227.115488 153.6
[M-H]- 203.118994 148.4
[M+NH4]+ 222.160093 167.1
[M+K]+ 243.089428 150.0
[M+H-H2O]+ 187.123530 139.3
[M+HCOO]- 249.124471 164.3
[M+CH3COO]- 263.140121 158.2
[M+Na-2H]- 225.100936 148.8
[M]+ 204.12572142 144.1
[M]- 204.12681858 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