CID 42365

Brn 0143662

Structural Information

Molecular Formula
C12H17N
SMILES
CCCN1CCC2=CC=CC=C2C1
InChI
InChI=1S/C12H17N/c1-2-8-13-9-7-11-5-3-4-6-12(11)10-13/h3-6H,2,7-10H2,1H3
InChIKey
CCIQJYJAIYBYEU-UHFFFAOYSA-N
Compound name
2-propyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

175.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.7
[M+Na]+ 198.12532 153.5
[M+NH4]+ 193.16992 149.9
[M+K]+ 214.09926 144.9
[M-H]- 174.12882 143.1
[M+Na-2H]- 196.11077 146.8
[M]+ 175.13555 142.7
[M]- 175.13665 142.7
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