CID 3057442

Indan-6-ethylamine, 5-methyl-, hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CCNC1=CC2=C(CCC2)C=C1C
InChI
InChI=1S/C12H17N/c1-3-13-12-8-11-6-4-5-10(11)7-9(12)2/h7-8,13H,3-6H2,1-2H3
InChIKey
UMLXJIHKEPRXQF-UHFFFAOYSA-N
Compound name
N-ethyl-6-methyl-2,3-dihydro-1H-inden-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 138.8
[M+Na]+ 198.12532 146.3
[M-H]- 174.12882 143.3
[M+NH4]+ 193.16992 162.1
[M+K]+ 214.09926 143.1
[M+H-H2O]+ 158.13336 133.3
[M+HCOO]- 220.13430 162.6
[M+CH3COO]- 234.14995 185.2
[M+Na-2H]- 196.11077 144.1
[M]+ 175.13555 137.9
[M]- 175.13665 137.9
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.