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]+ 223.107726 148.2
[M+Na]+ 245.089668 157.9
[M-H]- 221.093174 151.4
[M+NH4]+ 240.134273 164.6
[M+K]+ 261.063608 156.7
[M+H-H2O]+ 205.097710 135.5
[M+HCOO]- 267.098651 168.4
[M+CH3COO]- 281.114301 204.4
[M+Na-2H]- 243.075116 151.0
[M]+ 222.09990142 146.3
[M]- 222.10099858 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