CID 64689397

1343368-57-9

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCOC1=CC2=C(C=C1)C(NC(C2)C)C
InChI
InChI=1S/C14H21NO/c1-4-7-16-13-5-6-14-11(3)15-10(2)8-12(14)9-13/h5-6,9-11,15H,4,7-8H2,1-3H3
InChIKey
LSCPXXITGHPXSH-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 152.1
[M+Na]+ 242.15153 159.2
[M-H]- 218.15503 153.5
[M+NH4]+ 237.19613 170.2
[M+K]+ 258.12547 155.2
[M+H-H2O]+ 202.15957 145.4
[M+HCOO]- 264.16051 169.4
[M+CH3COO]- 278.17616 190.0
[M+Na-2H]- 240.13698 156.3
[M]+ 219.16176 150.9
[M]- 219.16286 150.9
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

No patent data available for this compound.