CID 24138

Isoquinoline, 1,2,3,4-tetrahydro-2-pentyl-, hydrochloride

Structural Information

Molecular Formula
C14H21N
SMILES
CCCCCN1CCC2=CC=CC=C2C1
InChI
InChI=1S/C14H21N/c1-2-3-6-10-15-11-9-13-7-4-5-8-14(13)12-15/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKey
KNTSMNQVUFQHSW-UHFFFAOYSA-N
Compound name
2-pentyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

203.1674 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 148.5
[M+Na]+ 226.156618 154.0
[M-H]- 202.160124 150.4
[M+NH4]+ 221.201223 167.3
[M+K]+ 242.130558 150.4
[M+H-H2O]+ 186.164660 141.0
[M+HCOO]- 248.165601 167.0
[M+CH3COO]- 262.181251 188.3
[M+Na-2H]- 224.142066 154.5
[M]+ 203.16685142 146.8
[M]- 203.16794858 146.8
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