CID 135392192

2227198-59-4

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)O)C12CC(C1)C2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-8(9(14)15)12-4-7(5-12)6-12/h7-8H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7?,8-,12?/m1/s1
InChIKey
KQYOIYYBDLNMKB-UWZOBUBJSA-N
Compound name
(2S)-2-(1-bicyclo[1.1.1]pentanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 182.9
[M+Na]+ 264.12063 181.9
[M-H]- 240.12413 183.5
[M+NH4]+ 259.16523 183.7
[M+K]+ 280.09457 189.7
[M+H-H2O]+ 224.12867 167.0
[M+HCOO]- 286.12961 190.9
[M+CH3COO]- 300.14526 217.8
[M+Na-2H]- 262.10608 183.8
[M]+ 241.13086 206.7
[M]- 241.13196 206.7
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