CID 293509

9-formamidojulolidine

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)NC=O
InChI
InChI=1S/C13H16N2O/c16-9-14-12-7-10-3-1-5-15-6-2-4-11(8-12)13(10)15/h7-9H,1-6H2,(H,14,16)
InChIKey
SHQSWXJSBTYFFH-UHFFFAOYSA-N
Compound name
N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 146.3
[M+Na]+ 239.11549 151.8
[M-H]- 215.11899 148.5
[M+NH4]+ 234.16009 165.3
[M+K]+ 255.08943 148.0
[M+H-H2O]+ 199.12353 138.6
[M+HCOO]- 261.12447 163.6
[M+CH3COO]- 275.14012 157.4
[M+Na-2H]- 237.10094 154.2
[M]+ 216.12572 142.5
[M]- 216.12682 142.5
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.