CID 34178694

Boc-l-cyclobutylglycine

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](C1CCC1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8(9(13)14)7-5-4-6-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey
OHDFGIXTRBDGRB-QMMMGPOBSA-N
Compound name
(2S)-2-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

229.13141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 157.0
[M+Na]+ 252.12063 158.6
[M-H]- 228.12413 158.3
[M+NH4]+ 247.16523 167.0
[M+K]+ 268.09457 162.2
[M+H-H2O]+ 212.12867 145.6
[M+HCOO]- 274.12961 173.4
[M+CH3COO]- 288.14526 192.9
[M+Na-2H]- 250.10608 157.4
[M]+ 229.13086 164.5
[M]- 229.13196 164.5
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