CID 3045196

Brn 1645742

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1CN/C(=C/[N+](=O)[O-])/CC2=CC=CC=C21
InChI
InChI=1S/C11H12N2O2/c14-13(15)8-11-7-10-4-2-1-3-9(10)5-6-12-11/h1-4,8,12H,5-7H2/b11-8+
InChIKey
WBGHUVVRWWHCDW-DHZHZOJOSA-N
Compound name
(4E)-4-(nitromethylidene)-1,2,3,5-tetrahydro-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 142.6
[M+Na]+ 227.079088 146.7
[M-H]- 203.082594 145.2
[M+NH4]+ 222.123693 158.6
[M+K]+ 243.053028 143.6
[M+H-H2O]+ 187.087130 140.9
[M+HCOO]- 249.088071 161.5
[M+CH3COO]- 263.103721 178.3
[M+Na-2H]- 225.064536 150.3
[M]+ 204.08932142 133.7
[M]- 204.09041858 133.7
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.