CID 68840368

Methyl 2-amino-2-(2-iodophenyl)acetate hydrochloride

Structural Information

Molecular Formula
C9H10INO2
SMILES
COC(=O)C(C1=CC=CC=C1I)N
InChI
InChI=1S/C9H10INO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3
InChIKey
ALRZUJHXMQQCMR-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2-iodophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

290.97562 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.98290 153.0
[M+Na]+ 313.96484 152.8
[M-H]- 289.96834 149.2
[M+NH4]+ 309.00944 167.2
[M+K]+ 329.93878 157.3
[M+H-H2O]+ 273.97288 143.1
[M+HCOO]- 335.97382 171.0
[M+CH3COO]- 349.98947 192.1
[M+Na-2H]- 311.95029 144.1
[M]+ 290.97507 149.7
[M]- 290.97617 149.7
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