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
3
Annotation Hits

0
References

58
Patents

204.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 147.7
[M+Na]+ 227.115488 155.8
[M-H]- 203.118994 150.6
[M+NH4]+ 222.160093 164.6
[M+K]+ 243.089428 153.1
[M+H-H2O]+ 187.123530 134.8
[M+HCOO]- 249.124471 167.9
[M+CH3COO]- 263.140121 201.8
[M+Na-2H]- 225.100936 152.2
[M]+ 204.12572142 143.8
[M]- 204.12681858 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