CID 115443404

1-({[(tert-butoxy)carbonyl]amino}methyl)cycloheptane-1-carboxylic acid

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)NCC1(CCCCCC1)C(=O)O
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-10-14(11(16)17)8-6-4-5-7-9-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
VMRROZMRYSWMBH-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cycloheptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 160.0
[M+Na]+ 294.16756 164.0
[M+NH4]+ 289.21216 165.6
[M+K]+ 310.14150 161.3
[M-H]- 270.17106 158.4
[M+Na-2H]- 292.15301 162.8
[M]+ 271.17779 159.8
[M]- 271.17889 159.8
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.