CID 19753820

5-((tert-butoxycarbonyl)(methyl)amino)pentanoic acid

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)N(C)CCCCC(=O)O
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12(4)8-6-5-7-9(13)14/h5-8H2,1-4H3,(H,13,14)
InChIKey
KYNLCVANIZMWBO-UHFFFAOYSA-N
Compound name
5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

231.14706 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 154.9
[M+Na]+ 254.136278 159.6
[M-H]- 230.139784 154.9
[M+NH4]+ 249.180883 172.7
[M+K]+ 270.110218 160.7
[M+H-H2O]+ 214.144320 149.7
[M+HCOO]- 276.145261 175.0
[M+CH3COO]- 290.160911 194.1
[M+Na-2H]- 252.121726 156.8
[M]+ 231.14651142 159.0
[M]- 231.14760858 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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