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

74
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

No literature data available for this compound.

Patent stripe

patents stripe