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]+ 190.097486 141.8
[M+Na]+ 212.079428 150.6
[M-H]- 188.082934 147.2
[M+NH4]+ 207.124033 159.9
[M+K]+ 228.053368 149.5
[M+H-H2O]+ 172.087470 128.1
[M+HCOO]- 234.088411 166.1
[M+CH3COO]- 248.104061 204.8
[M+Na-2H]- 210.064876 148.2
[M]+ 189.08966142 139.2
[M]- 189.09075858 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.