CID 293426

100836-78-0

Structural Information

Molecular Formula
C14H18N2O2
SMILES
COC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C14H18N2O2/c1-18-14(17)15-12-8-10-4-2-6-16-7-3-5-11(9-12)13(10)16/h8-9H,2-7H2,1H3,(H,15,17)
InChIKey
VIGWHXBGCBEOBU-UHFFFAOYSA-N
Compound name
methyl N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 154.8
[M+Na]+ 269.12605 159.6
[M-H]- 245.12955 156.9
[M+NH4]+ 264.17065 172.6
[M+K]+ 285.09999 156.7
[M+H-H2O]+ 229.13409 146.9
[M+HCOO]- 291.13503 170.9
[M+CH3COO]- 305.15068 196.8
[M+Na-2H]- 267.11150 161.0
[M]+ 246.13628 152.0
[M]- 246.13738 152.0
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.