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]+ 205.09715 142.6
[M+Na]+ 227.07909 146.7
[M-H]- 203.08259 145.2
[M+NH4]+ 222.12369 158.6
[M+K]+ 243.05303 143.6
[M+H-H2O]+ 187.08713 140.9
[M+HCOO]- 249.08807 161.5
[M+CH3COO]- 263.10372 178.3
[M+Na-2H]- 225.06454 150.3
[M]+ 204.08932 133.7
[M]- 204.09042 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.