CID 12249984

24642-83-9

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC(C)N(C1=CC=CC=C1)N=O
InChI
InChI=1S/C9H12N2O/c1-8(2)11(10-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
HCGKUYAZCYTQCY-UHFFFAOYSA-N
Compound name
N-phenyl-N-propan-2-ylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

164.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.1
[M+Na]+ 187.084178 140.3
[M-H]- 163.087684 140.5
[M+NH4]+ 182.128783 155.2
[M+K]+ 203.058118 141.0
[M+H-H2O]+ 147.092220 127.2
[M+HCOO]- 209.093161 162.1
[M+CH3COO]- 223.108811 189.2
[M+Na-2H]- 185.069626 141.4
[M]+ 164.09441142 135.7
[M]- 164.09550858 135.7
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