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]+ 218.15395 153.2
[M+Na]+ 240.13589 161.1
[M-H]- 216.13939 158.1
[M+NH4]+ 235.18049 167.7
[M+K]+ 256.10983 157.3
[M+H-H2O]+ 200.14393 146.0
[M+HCOO]- 262.14487 170.7
[M+CH3COO]- 276.16052 164.2
[M+Na-2H]- 238.12134 159.7
[M]+ 217.14612 152.6
[M]- 217.14722 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.