CID 10513216

2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C11H14N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)C(C#N)N
InChI
InChI=1S/C11H14N2O3/c1-14-9-4-7(8(13)6-12)5-10(15-2)11(9)16-3/h4-5,8H,13H2,1-3H3
InChIKey
SDTKGRUQFNKXAO-UHFFFAOYSA-N
Compound name
2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.2
[M+Na]+ 245.08967 157.9
[M-H]- 221.09317 151.4
[M+NH4]+ 240.13427 164.6
[M+K]+ 261.06361 156.7
[M+H-H2O]+ 205.09771 135.5
[M+HCOO]- 267.09865 168.4
[M+CH3COO]- 281.11430 204.4
[M+Na-2H]- 243.07512 151.0
[M]+ 222.09990 146.3
[M]- 222.10100 146.3
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