CID 62736712

17910-42-8

Structural Information

Molecular Formula
C13H19NO2
SMILES
COC1=C(C=C2C(CCCCC2=C1)N)OC
InChI
InChI=1S/C13H19NO2/c1-15-12-7-9-5-3-4-6-11(14)10(9)8-13(12)16-2/h7-8,11H,3-6,14H2,1-2H3
InChIKey
ZRFAAVVYTSTEQL-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 146.2
[M+Na]+ 244.130808 151.5
[M-H]- 220.134314 151.3
[M+NH4]+ 239.175413 164.4
[M+K]+ 260.104748 153.8
[M+H-H2O]+ 204.138850 141.2
[M+HCOO]- 266.139791 166.6
[M+CH3COO]- 280.155441 194.3
[M+Na-2H]- 242.116256 150.6
[M]+ 221.14104142 142.8
[M]- 221.14213858 142.8
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.