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 232.7
[M+Na]+ 286.10497 230.9
[M-H]- 262.10847 235.6
[M+NH4]+ 281.14957 226.9
[M+K]+ 302.07891 235.7
[M+H-H2O]+ 246.11301 219.7
[M+HCOO]- 308.11395 232.2
[M+CH3COO]- 322.12960 264.7
[M+Na-2H]- 284.09042 224.6
[M]+ 263.11520 251.8
[M]- 263.11630 251.8
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

patents stripe