CID 3086270

88203-04-7

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC(=O)C1=CC=CC=C1NCC#N
InChI
InChI=1S/C10H10N2O/c1-8(13)9-4-2-3-5-10(9)12-7-6-11/h2-5,12H,7H2,1H3
InChIKey
QTNVPWDRZGZZMZ-UHFFFAOYSA-N
Compound name
2-(2-acetylanilino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.07932 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 139.8
[M+Na]+ 197.06854 148.9
[M-H]- 173.07204 143.1
[M+NH4]+ 192.11314 157.7
[M+K]+ 213.04248 146.1
[M+H-H2O]+ 157.07658 127.3
[M+HCOO]- 219.07752 160.7
[M+CH3COO]- 233.09317 195.6
[M+Na-2H]- 195.05399 145.1
[M]+ 174.07877 134.6
[M]- 174.07987 134.6
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.