CID 131769947

Q5zy5zln9d

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C[C@H]1CNCC(C2=C1C=C(C=C2)Cl)O
InChI
InChI=1S/C11H14ClNO/c1-7-5-13-6-11(14)9-3-2-8(12)4-10(7)9/h2-4,7,11,13-14H,5-6H2,1H3/t7-,11?/m0/s1
InChIKey
QXIVXWARMBDNCW-RGENBBCFSA-N
Compound name
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 140.0
[M+Na]+ 234.06561 151.6
[M+NH4]+ 229.11021 148.3
[M+K]+ 250.03955 146.3
[M-H]- 210.06911 141.6
[M+Na-2H]- 232.05106 145.4
[M]+ 211.07584 142.4
[M]- 211.07694 142.4
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.