CID 72207425

3-tert-butoxycarbonylamino-cyclobutane-1,1-dicarboxylic acid diisopropyl ester

Structural Information

Molecular Formula
C17H29NO6
SMILES
CC(C)OC(=O)C1(CC(C1)NC(=O)OC(C)(C)C)C(=O)OC(C)C
InChI
InChI=1S/C17H29NO6/c1-10(2)22-13(19)17(14(20)23-11(3)4)8-12(9-17)18-15(21)24-16(5,6)7/h10-12H,8-9H2,1-7H3,(H,18,21)
InChIKey
GKOKDSCWLNRKGQ-UHFFFAOYSA-N
Compound name
dipropan-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1,1-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

343.1995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20678 187.9
[M+Na]+ 366.18872 188.5
[M-H]- 342.19222 190.1
[M+NH4]+ 361.23332 196.0
[M+K]+ 382.16266 193.8
[M+H-H2O]+ 326.19676 177.4
[M+HCOO]- 388.19770 202.2
[M+CH3COO]- 402.21335 217.1
[M+Na-2H]- 364.17417 184.5
[M]+ 343.19895 200.7
[M]- 343.20005 200.7
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