CID 52936369

1281861-01-5

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-7-4-5-8(7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
InChIKey
GXDXGJPVXCCWKQ-YUMQZZPRSA-N
Compound name
(1S,2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 155.6
[M+Na]+ 252.12063 158.4
[M-H]- 228.12413 157.2
[M+NH4]+ 247.16523 166.0
[M+K]+ 268.09457 161.4
[M+H-H2O]+ 212.12867 144.5
[M+HCOO]- 274.12961 172.9
[M+CH3COO]- 288.14526 193.2
[M+Na-2H]- 250.10608 156.6
[M]+ 229.13086 164.1
[M]- 229.13196 164.1
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

No patent data available for this compound.