CID 4097102

Tert-butyl ((tert-butoxycarbonyl)amino)acetate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-10(2,3)15-8(13)7-12-9(14)16-11(4,5)6/h7H2,1-6H3,(H,12,14)
InChIKey
ZDKFMHKWZATBMR-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

231.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.8
[M+Na]+ 254.13628 159.4
[M-H]- 230.13978 154.2
[M+NH4]+ 249.18088 172.0
[M+K]+ 270.11022 160.6
[M+H-H2O]+ 214.14432 149.4
[M+HCOO]- 276.14526 173.5
[M+CH3COO]- 290.16091 192.3
[M+Na-2H]- 252.12173 158.1
[M]+ 231.14651 158.0
[M]- 231.14761 158.0
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