CID 106489833

3-((tert-butoxycarbonyl)amino)-2-cyclopropylpropanoic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)NCC(C1CC1)C(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-8(9(13)14)7-4-5-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
QFPLQZXGVHBORP-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.138686 150.4
[M+Na]+ 252.120628 156.7
[M-H]- 228.124134 153.4
[M+NH4]+ 247.165233 162.9
[M+K]+ 268.094568 154.8
[M+H-H2O]+ 212.128670 145.0
[M+HCOO]- 274.129611 169.5
[M+CH3COO]- 288.145261 193.0
[M+Na-2H]- 250.106076 152.8
[M]+ 229.13086142 154.1
[M]- 229.13195858 154.1
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