CID 129011985

1421747-19-4

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C[C@H]1CN(CCC2=C1C=C(C=C2)Cl)O
InChI
InChI=1S/C11H14ClNO/c1-8-7-13(14)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m0/s1
InChIKey
OBKJFJJRKLOMQV-QMMMGPOBSA-N
Compound name
(5R)-7-chloro-3-hydroxy-5-methyl-1,2,4,5-tetrahydro-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 140.4
[M+Na]+ 234.06561 148.6
[M-H]- 210.06911 143.3
[M+NH4]+ 229.11021 158.7
[M+K]+ 250.03955 148.3
[M+H-H2O]+ 194.07365 135.2
[M+HCOO]- 256.07459 154.1
[M+CH3COO]- 270.09024 152.5
[M+Na-2H]- 232.05106 145.7
[M]+ 211.07584 137.1
[M]- 211.07694 137.1
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.