CID 192600

5-(2-aminopropyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C12H17N
SMILES
CC(CC1=CC2=C(CCC2)C=C1)N
InChI
InChI=1S/C12H17N/c1-9(13)7-10-5-6-11-3-2-4-12(11)8-10/h5-6,8-9H,2-4,7,13H2,1H3
InChIKey
QYVNZHBQYJRLEX-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

29
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

literature stripe

Patent stripe

patents stripe