CID 3018600

75522-88-2

Structural Information

Molecular Formula
C10H11N3O
SMILES
CN(CCC#N)C1=CC=C(C=C1)N=O
InChI
InChI=1S/C10H11N3O/c1-13(8-2-7-11)10-5-3-9(12-14)4-6-10/h3-6H,2,8H2,1H3
InChIKey
KNLNHLDEVSMSKX-UHFFFAOYSA-N
Compound name
3-(N-methyl-4-nitrosoanilino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 141.8
[M+Na]+ 212.07943 150.6
[M-H]- 188.08293 147.2
[M+NH4]+ 207.12403 159.9
[M+K]+ 228.05337 149.5
[M+H-H2O]+ 172.08747 128.1
[M+HCOO]- 234.08841 166.1
[M+CH3COO]- 248.10406 204.8
[M+Na-2H]- 210.06488 148.2
[M]+ 189.08966 139.2
[M]- 189.09076 139.2
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.