CID 11909

2-nitrosotoluene

Structural Information

Molecular Formula
C7H7NO
SMILES
CC1=CC=CC=C1N=O
InChI
InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3
InChIKey
TWLBRQVYXPMCFK-UHFFFAOYSA-N
Compound name
1-methyl-2-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

451
Patents

121.052765 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06004 119.2
[M+Na]+ 144.04198 128.3
[M-H]- 120.04549 124.9
[M+NH4]+ 139.08659 142.3
[M+K]+ 160.01592 127.8
[M+H-H2O]+ 104.05002 113.7
[M+HCOO]- 166.05097 147.5
[M+CH3COO]- 180.06662 175.0
[M+Na-2H]- 142.02743 128.8
[M]+ 121.05222 120.7
[M]- 121.05331 120.7
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