CID 4170356

9-{[(tert-butoxy)carbonyl]amino}nonanoic acid

Structural Information

Molecular Formula
C14H27NO4
SMILES
CC(C)(C)OC(=O)NCCCCCCCCC(=O)O
InChI
InChI=1S/C14H27NO4/c1-14(2,3)19-13(18)15-11-9-7-5-4-6-8-10-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
QCCWTNAQYOOPQP-UHFFFAOYSA-N
Compound name
9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

273.194 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20128 169.5
[M+Na]+ 296.18322 172.7
[M-H]- 272.18672 167.4
[M+NH4]+ 291.22782 184.9
[M+K]+ 312.15716 171.7
[M+H-H2O]+ 256.19126 163.7
[M+HCOO]- 318.19220 188.1
[M+CH3COO]- 332.20785 199.7
[M+Na-2H]- 294.16867 170.5
[M]+ 273.19345 173.5
[M]- 273.19455 173.5
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