CID 3058652

75463-31-9

Structural Information

Molecular Formula
C13H17N
SMILES
CNC1CCC2=C1C=C3CCCC3=C2
InChI
InChI=1S/C13H17N/c1-14-13-6-5-11-7-9-3-2-4-10(9)8-12(11)13/h7-8,13-14H,2-6H2,1H3
InChIKey
UQQWWDJEYJDSCT-UHFFFAOYSA-N
Compound name
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.14338 141.8
[M+Na]+ 210.12532 149.1
[M-H]- 186.12882 147.1
[M+NH4]+ 205.16992 167.1
[M+K]+ 226.09926 145.3
[M+H-H2O]+ 170.13336 136.7
[M+HCOO]- 232.13430 164.5
[M+CH3COO]- 246.14995 155.3
[M+Na-2H]- 208.11077 145.8
[M]+ 187.13555 139.4
[M]- 187.13665 139.4
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.