CID 64386935

6-propoxy-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C12H17NO
SMILES
CCCOC1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C12H17NO/c1-2-7-14-12-4-3-11-9-13-6-5-10(11)8-12/h3-4,8,13H,2,5-7,9H2,1H3
InChIKey
KLIFEOWIBMQNNT-UHFFFAOYSA-N
Compound name
6-propoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.9
[M+Na]+ 214.12023 148.9
[M-H]- 190.12373 143.9
[M+NH4]+ 209.16483 161.5
[M+K]+ 230.09417 145.4
[M+H-H2O]+ 174.12827 136.1
[M+HCOO]- 236.12921 160.9
[M+CH3COO]- 250.14486 181.6
[M+Na-2H]- 212.10568 149.6
[M]+ 191.13046 140.2
[M]- 191.13156 140.2
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