CID 210080

3-propargyl-2,3,4,5-tetrahydro-1h-3-benzazepine hydrochloride

Structural Information

Molecular Formula
C13H15N
SMILES
C#CCN1CCC2=CC=CC=C2CC1
InChI
InChI=1S/C13H15N/c1-2-9-14-10-7-12-5-3-4-6-13(12)8-11-14/h1,3-6H,7-11H2
InChIKey
WXKMKELUXSVHSD-UHFFFAOYSA-N
Compound name
3-prop-2-ynyl-1,2,4,5-tetrahydro-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12773 143.2
[M+Na]+ 208.10967 154.2
[M+NH4]+ 203.15427 148.5
[M+K]+ 224.08361 145.2
[M-H]- 184.11317 138.3
[M+Na-2H]- 206.09512 146.7
[M]+ 185.11990 142.7
[M]- 185.12100 142.7
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.