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

4
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 142.9
[M+Na]+ 214.120228 148.9
[M-H]- 190.123734 143.9
[M+NH4]+ 209.164833 161.5
[M+K]+ 230.094168 145.4
[M+H-H2O]+ 174.128270 136.1
[M+HCOO]- 236.129211 160.9
[M+CH3COO]- 250.144861 181.6
[M+Na-2H]- 212.105676 149.6
[M]+ 191.13046142 140.2
[M]- 191.13155858 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