CID 3059558

76777-01-0

Structural Information

Molecular Formula
C15H21N
SMILES
CCCN1CCCC2CC1C3=CC=CC=C23
InChI
InChI=1S/C15H21N/c1-2-9-16-10-5-6-12-11-15(16)14-8-4-3-7-13(12)14/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3
InChIKey
HCZMILOQFKMCJC-UHFFFAOYSA-N
Compound name
9-propyl-9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.174676 149.3
[M+Na]+ 238.156618 155.2
[M-H]- 214.160124 152.7
[M+NH4]+ 233.201223 170.1
[M+K]+ 254.130558 153.3
[M+H-H2O]+ 198.164660 144.1
[M+HCOO]- 260.165601 166.2
[M+CH3COO]- 274.181251 160.7
[M+Na-2H]- 236.142066 153.9
[M]+ 215.16685142 145.5
[M]- 215.16794858 145.5
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.