CID 25324658

1000931-72-5

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(C)(C)OC(=O)NC12C3C4C1C5C2C3C45C(=O)O
InChI
InChI=1S/C14H17NO4/c1-12(2,3)19-11(18)15-14-7-4-8(14)6-9(14)5(7)13(4,6)10(16)17/h4-9H,1-3H3,(H,15,18)(H,16,17)
InChIKey
RQTXWKKAUMSKQA-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]cubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

263.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 228.0
[M+Na]+ 286.10497 222.1
[M+NH4]+ 281.14957 223.5
[M+K]+ 302.07891 220.0
[M-H]- 262.10847 222.8
[M+Na-2H]- 284.09042 218.8
[M]+ 263.11520 223.7
[M]- 263.11630 223.7
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