CID 21201528

Tert-butyl 2-(3-aminophenyl)acetate

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)(C)OC(=O)CC1=CC(=CC=C1)N
InChI
InChI=1S/C12H17NO2/c1-12(2,3)15-11(14)8-9-5-4-6-10(13)7-9/h4-7H,8,13H2,1-3H3
InChIKey
SCZSWYDHGXBSOV-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-aminophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

207.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.7
[M+Na]+ 230.11515 154.5
[M-H]- 206.11865 151.0
[M+NH4]+ 225.15975 166.5
[M+K]+ 246.08909 152.9
[M+H-H2O]+ 190.12319 142.0
[M+HCOO]- 252.12413 169.8
[M+CH3COO]- 266.13978 188.7
[M+Na-2H]- 228.10060 152.3
[M]+ 207.12538 148.3
[M]- 207.12648 148.3
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