CID 39342

5h-benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-((methylamino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CNCC(C1=CC2=C(CCCCC2)C=C1)O
InChI
InChI=1S/C14H21NO/c1-15-10-14(16)13-8-7-11-5-3-2-4-6-12(11)9-13/h7-9,14-16H,2-6,10H2,1H3
InChIKey
OBOAIDWSCKCRSJ-UHFFFAOYSA-N
Compound name
2-(methylamino)-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 148.5
[M+Na]+ 242.15153 157.2
[M+NH4]+ 237.19613 156.6
[M+K]+ 258.12547 152.2
[M-H]- 218.15503 151.1
[M+Na-2H]- 240.13698 153.6
[M]+ 219.16176 150.4
[M]- 219.16286 150.4
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.