CID 3046871

62819-45-8

Structural Information

Molecular Formula
C12H15N
SMILES
CNC1CCC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H15N/c1-13-12-8-6-10-4-2-3-5-11(10)7-9-12/h2-6,8,12-13H,7,9H2,1H3
InChIKey
LVDLUVNNZAIWGM-UHFFFAOYSA-N
Compound name
N-methyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.12045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 135.4
[M+Na]+ 196.10967 146.7
[M+NH4]+ 191.15427 144.9
[M+K]+ 212.08361 140.5
[M-H]- 172.11317 139.5
[M+Na-2H]- 194.09512 143.3
[M]+ 173.11990 138.3
[M]- 173.12100 138.3
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