CID 113027

63133-74-4

Structural Information

Molecular Formula
C11H14N2
SMILES
CCN(CC#N)C1=CC=CC(=C1)C
InChI
InChI=1S/C11H14N2/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,8H2,1-2H3
InChIKey
XLAYCZJJQWGFAZ-UHFFFAOYSA-N
Compound name
2-(N-ethyl-3-methylanilino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 139.9
[M+Na]+ 197.10491 148.8
[M-H]- 173.10841 144.3
[M+NH4]+ 192.14951 158.6
[M+K]+ 213.07885 146.6
[M+H-H2O]+ 157.11295 127.1
[M+HCOO]- 219.11389 161.5
[M+CH3COO]- 233.12954 199.7
[M+Na-2H]- 195.09036 145.4
[M]+ 174.11514 136.2
[M]- 174.11624 136.2
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.