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]+ 176.143376 138.8
[M+Na]+ 198.125318 146.3
[M-H]- 174.128824 143.3
[M+NH4]+ 193.169923 162.1
[M+K]+ 214.099258 143.1
[M+H-H2O]+ 158.133360 133.3
[M+HCOO]- 220.134301 162.6
[M+CH3COO]- 234.149951 185.2
[M+Na-2H]- 196.110766 144.1
[M]+ 175.13555142 137.9
[M]- 175.13664858 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.