CID 67077

Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=CC(=CC=C1)N(CCC#N)CCO
InChI
InChI=1S/C12H16N2O/c1-11-4-2-5-12(10-11)14(8-9-15)7-3-6-13/h2,4-5,10,15H,3,7-9H2,1H3
InChIKey
OSNNWHRYDJYFJL-UHFFFAOYSA-N
Compound name
3-[N-(2-hydroxyethyl)-3-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

204.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 147.7
[M+Na]+ 227.11549 155.8
[M-H]- 203.11899 150.6
[M+NH4]+ 222.16009 164.6
[M+K]+ 243.08943 153.1
[M+H-H2O]+ 187.12353 134.8
[M+HCOO]- 249.12447 167.9
[M+CH3COO]- 263.14012 201.8
[M+Na-2H]- 225.10094 152.2
[M]+ 204.12572 143.8
[M]- 204.12682 143.8
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

patents stripe