CID 3046883

62819-62-9

Structural Information

Molecular Formula
C13H17N
SMILES
CCNC1CCC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H17N/c1-2-14-13-9-7-11-5-3-4-6-12(11)8-10-13/h3-7,9,13-14H,2,8,10H2,1H3
InChIKey
KMCBZBOSHNBCSY-UHFFFAOYSA-N
Compound name
N-ethyl-8,9-dihydro-7H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

187.1361 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 138.8
[M+Na]+ 210.125318 143.5
[M-H]- 186.128824 144.1
[M+NH4]+ 205.169923 158.2
[M+K]+ 226.099258 144.5
[M+H-H2O]+ 170.133360 134.0
[M+HCOO]- 232.134301 160.8
[M+CH3COO]- 246.149951 151.1
[M+Na-2H]- 208.110766 146.4
[M]+ 187.13555142 134.2
[M]- 187.13664858 134.2
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