CID 130893854

3-[3-(boc-amino)propoxy]propanoic acid

Structural Information

Molecular Formula
C11H21NO5
SMILES
CC(C)(C)OC(=O)NCCCOCCC(=O)O
InChI
InChI=1S/C11H21NO5/c1-11(2,3)17-10(15)12-6-4-7-16-8-5-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
QWJRJQMNTLUKII-UHFFFAOYSA-N
Compound name
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.14197 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14925 158.1
[M+Na]+ 270.13119 162.5
[M-H]- 246.13469 156.4
[M+NH4]+ 265.17579 174.5
[M+K]+ 286.10513 162.7
[M+H-H2O]+ 230.13923 152.6
[M+HCOO]- 292.14017 177.9
[M+CH3COO]- 306.15582 192.8
[M+Na-2H]- 268.11664 160.8
[M]+ 247.14142 162.4
[M]- 247.14252 162.4
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

No patent data available for this compound.