CID 105474706

2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)(CCC1=CC2=C(CNCC2)C=C1)O
InChI
InChI=1S/C14H21NO/c1-14(2,16)7-5-11-3-4-13-10-15-8-6-12(13)9-11/h3-4,9,15-16H,5-8,10H2,1-2H3
InChIKey
XEGVQHNZHRRPAQ-UHFFFAOYSA-N
Compound name
2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.4
[M+Na]+ 242.15153 158.5
[M-H]- 218.15503 152.9
[M+NH4]+ 237.19613 170.2
[M+K]+ 258.12547 154.0
[M+H-H2O]+ 202.15957 147.2
[M+HCOO]- 264.16051 167.5
[M+CH3COO]- 278.17616 185.5
[M+Na-2H]- 240.13698 159.2
[M]+ 219.16176 149.1
[M]- 219.16286 149.1
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.