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 159.4
[M+Na]+ 294.16756 160.0
[M-H]- 270.17106 161.5
[M+NH4]+ 289.21216 175.1
[M+K]+ 310.14150 164.2
[M+H-H2O]+ 254.17560 154.6
[M+HCOO]- 316.17654 174.7
[M+CH3COO]- 330.19219 196.8
[M+Na-2H]- 292.15301 161.8
[M]+ 271.17779 153.9
[M]- 271.17889 154.0
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.