CID 12090367

1-(2,3-dihydro-1h-inden-2-yl)propan-1-amine

Structural Information

Molecular Formula
C12H17N
SMILES
CCC(C1CC2=CC=CC=C2C1)N
InChI
InChI=1S/C12H17N/c1-2-12(13)11-7-9-5-3-4-6-10(9)8-11/h3-6,11-12H,2,7-8,13H2,1H3
InChIKey
FPLRSVLVTJHGOC-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.4
[M+Na]+ 198.12532 146.7
[M-H]- 174.12882 144.1
[M+NH4]+ 193.16992 163.0
[M+K]+ 214.09926 143.6
[M+H-H2O]+ 158.13336 134.7
[M+HCOO]- 220.13430 162.6
[M+CH3COO]- 234.14995 184.2
[M+Na-2H]- 196.11077 144.1
[M]+ 175.13555 137.4
[M]- 175.13665 137.4
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

patents stripe