CID 15000283

2-(2-((tert-butoxycarbonyl)amino)ethoxy)acetic acid

Structural Information

Molecular Formula
C9H17NO5
SMILES
CC(C)(C)OC(=O)NCCOCC(=O)O
InChI
InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-4-5-14-6-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
InChIKey
UPBQMAHYLWJGDW-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

219.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.117946 148.9
[M+Na]+ 242.099888 154.1
[M-H]- 218.103394 147.6
[M+NH4]+ 237.144493 166.4
[M+K]+ 258.073828 154.8
[M+H-H2O]+ 202.107930 143.8
[M+HCOO]- 264.108871 169.3
[M+CH3COO]- 278.124521 186.8
[M+Na-2H]- 240.085336 152.6
[M]+ 219.11012142 152.4
[M]- 219.11121858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe