CID 3053266

1,5-methano-1h-3-benzazepine, 2,3,4,5-tetrahydro-3-(2-propenyl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C14H17N
SMILES
C=CCN1CC2CC(C1)C3=CC=CC=C23
InChI
InChI=1S/C14H17N/c1-2-7-15-9-11-8-12(10-15)14-6-4-3-5-13(11)14/h2-6,11-12H,1,7-10H2
InChIKey
SBYALQDYQZIWHH-UHFFFAOYSA-N
Compound name
10-prop-2-enyl-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.143376 145.6
[M+Na]+ 222.125318 153.1
[M-H]- 198.128824 147.6
[M+NH4]+ 217.169923 168.2
[M+K]+ 238.099258 148.2
[M+H-H2O]+ 182.133360 139.2
[M+HCOO]- 244.134301 163.3
[M+CH3COO]- 258.149951 157.8
[M+Na-2H]- 220.110766 151.0
[M]+ 199.13555142 143.6
[M]- 199.13664858 143.6
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.