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

5
Patents

147.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 127.8
[M+Na]+ 170.09402 134.5
[M-H]- 146.09752 132.4
[M+NH4]+ 165.13862 143.8
[M+K]+ 186.06796 135.2
[M+H-H2O]+ 130.10206 117.2
[M+HCOO]- 192.10300 151.1
[M+CH3COO]- 206.11865 183.4
[M+Na-2H]- 168.07947 136.5
[M]+ 147.10425 136.2
[M]- 147.10535 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