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

9
Patents

241.13141 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 182.9
[M+Na]+ 264.120628 181.9
[M-H]- 240.124134 183.5
[M+NH4]+ 259.165233 183.7
[M+K]+ 280.094568 189.7
[M+H-H2O]+ 224.128670 167.0
[M+HCOO]- 286.129611 190.9
[M+CH3COO]- 300.145261 217.8
[M+Na-2H]- 262.106076 183.8
[M]+ 241.13086142 206.7
[M]- 241.13195858 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