CID 108269

Brn 1241918

Structural Information

Molecular Formula
C13H17N
SMILES
CN1CC2C=CC3=C(C2C1)CCC=C3
InChI
InChI=1S/C13H17N/c1-14-8-11-7-6-10-4-2-3-5-12(10)13(11)9-14/h2,4,6-7,11,13H,3,5,8-9H2,1H3
InChIKey
VCKXFJPCDAIJNT-UHFFFAOYSA-N
Compound name
2-methyl-1,3,3a,8,9,9b-hexahydrobenzo[e]isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.143376 142.0
[M+Na]+ 210.125318 149.3
[M-H]- 186.128824 145.5
[M+NH4]+ 205.169923 164.5
[M+K]+ 226.099258 145.3
[M+H-H2O]+ 170.133360 135.4
[M+HCOO]- 232.134301 160.1
[M+CH3COO]- 246.149951 154.6
[M+Na-2H]- 208.110766 146.9
[M]+ 187.13555142 138.4
[M]- 187.13664858 138.4
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.