CID 637602

6-[(tert-butoxycarbonyl)amino]hexanoic acid

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-8-6-4-5-7-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
RUFDYIJGNPVTAY-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2244
Patents

231.14706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.154336 155.8
[M+Na]+ 254.136278 160.3
[M-H]- 230.139784 154.2
[M+NH4]+ 249.180883 172.9
[M+K]+ 270.110218 160.0
[M+H-H2O]+ 214.144320 150.6
[M+HCOO]- 276.145261 175.4
[M+CH3COO]- 290.160911 190.7
[M+Na-2H]- 252.121726 158.3
[M]+ 231.14651142 158.6
[M]- 231.14760858 158.6
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

patents stripe