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 178.5
[M+Na]+ 264.12063 172.2
[M+NH4]+ 259.16523 174.7
[M+K]+ 280.09457 172.7
[M-H]- 240.12413 169.0
[M+Na-2H]- 262.10608 170.3
[M]+ 241.13086 171.9
[M]- 241.13196 171.9
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