CID 55202

84174-20-9

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN(CC1=CC=C(C=C1)OC)N=O
InChI
InChI=1S/C9H12N2O2/c1-11(10-12)7-8-3-5-9(13-2)6-4-8/h3-6H,7H2,1-2H3
InChIKey
PBYJHBYYEJFZIL-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

180.08987 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 136.1
[M+Na]+ 203.079088 143.5
[M-H]- 179.082594 142.8
[M+NH4]+ 198.123693 157.0
[M+K]+ 219.053028 144.3
[M+H-H2O]+ 163.087130 129.1
[M+HCOO]- 225.088071 165.4
[M+CH3COO]- 239.103721 191.5
[M+Na-2H]- 201.064536 144.0
[M]+ 180.08932142 140.3
[M]- 180.09041858 140.3
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