CID 204239

15997-94-1

Structural Information

Molecular Formula
C9H13N
SMILES
C1C2C=CC1C3C2CNC3
InChI
InChI=1S/C9H13N/c1-2-7-3-6(1)8-4-10-5-9(7)8/h1-2,6-10H,3-5H2
InChIKey
CJMPQJDYEONFGO-UHFFFAOYSA-N
Compound name
4-azatricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

135.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 131.5
[M+Na]+ 158.094018 139.2
[M-H]- 134.097524 132.9
[M+NH4]+ 153.138623 159.1
[M+K]+ 174.067958 136.4
[M+H-H2O]+ 118.102060 127.1
[M+HCOO]- 180.103001 150.8
[M+CH3COO]- 194.118651 144.9
[M+Na-2H]- 156.079466 134.3
[M]+ 135.10425142 128.1
[M]- 135.10534858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe