CID 4712522

N-boc-cyclopropyl alanine

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8(9(13)14)6-7-4-5-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
GKRRTFCDSZGFSZ-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

229.13141 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 153.2
[M+Na]+ 252.12063 160.7
[M+NH4]+ 247.16523 158.7
[M+K]+ 268.09457 160.3
[M-H]- 228.12413 158.0
[M+Na-2H]- 250.10608 156.9
[M]+ 229.13086 156.2
[M]- 229.13196 156.2
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