CID 115076291

6-[(1-methylcyclopropyl)methoxy]-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1(CC1)COC2=CC3=C(CNCC3)C=C2
InChI
InChI=1S/C14H19NO/c1-14(5-6-14)10-16-13-3-2-12-9-15-7-4-11(12)8-13/h2-3,8,15H,4-7,9-10H2,1H3
InChIKey
RAQXESDMIYFFFU-UHFFFAOYSA-N
Compound name
6-[(1-methylcyclopropyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 153.2
[M+Na]+ 240.135888 161.1
[M-H]- 216.139394 158.1
[M+NH4]+ 235.180493 167.7
[M+K]+ 256.109828 157.3
[M+H-H2O]+ 200.143930 146.0
[M+HCOO]- 262.144871 170.7
[M+CH3COO]- 276.160521 164.2
[M+Na-2H]- 238.121336 159.7
[M]+ 217.14612142 152.6
[M]- 217.14721858 152.6
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.