CID 576503

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

Structural Information

Molecular Formula
C10H13N
SMILES
C1CCNC2=CC=CC=C2C1
InChI
InChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7,11H,3-4,6,8H2
InChIKey
MZBVNYACSSGXID-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1H-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4841
Patents

147.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 127.4
[M+Na]+ 170.09402 132.0
[M-H]- 146.09752 129.7
[M+NH4]+ 165.13862 146.3
[M+K]+ 186.06796 132.5
[M+H-H2O]+ 130.10206 122.1
[M+HCOO]- 192.10300 145.4
[M+CH3COO]- 206.11865 139.3
[M+Na-2H]- 168.07947 135.6
[M]+ 147.10425 119.5
[M]- 147.10535 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe