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]+ 222.14887 146.2
[M+Na]+ 244.13081 151.5
[M-H]- 220.13431 151.3
[M+NH4]+ 239.17541 164.4
[M+K]+ 260.10475 153.8
[M+H-H2O]+ 204.13885 141.2
[M+HCOO]- 266.13979 166.6
[M+CH3COO]- 280.15544 194.3
[M+Na-2H]- 242.11626 150.6
[M]+ 221.14104 142.8
[M]- 221.14214 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.