CID 55287462

802544-12-3

Structural Information

Molecular Formula
C10H13N
SMILES
CNCC1CC2=CC=CC=C12
InChI
InChI=1S/C10H13N/c1-11-7-9-6-8-4-2-3-5-10(8)9/h2-5,9,11H,6-7H2,1H3
InChIKey
ZBFCCKYWPYJJDO-UHFFFAOYSA-N
Compound name
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

147.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.112076 127.8
[M+Na]+ 170.094018 134.5
[M-H]- 146.097524 132.4
[M+NH4]+ 165.138623 143.8
[M+K]+ 186.067958 135.2
[M+H-H2O]+ 130.102060 117.2
[M+HCOO]- 192.103001 151.1
[M+CH3COO]- 206.118651 183.4
[M+Na-2H]- 168.079466 136.5
[M]+ 147.10425142 136.2
[M]- 147.10534858 136.2
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

patents stripe