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 148.0
[M+Na]+ 242.15153 150.5
[M-H]- 218.15503 151.4
[M+NH4]+ 237.19613 165.2
[M+K]+ 258.12547 151.8
[M+H-H2O]+ 202.15957 143.0
[M+HCOO]- 264.16051 166.1
[M+CH3COO]- 278.17616 192.0
[M+Na-2H]- 240.13698 152.5
[M]+ 219.16176 141.4
[M]- 219.16286 141.4
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.