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

63
Patents

263.11575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 232.7
[M+Na]+ 286.104968 230.9
[M-H]- 262.108474 235.6
[M+NH4]+ 281.149573 226.9
[M+K]+ 302.078908 235.7
[M+H-H2O]+ 246.113010 219.7
[M+HCOO]- 308.113951 232.2
[M+CH3COO]- 322.129601 264.7
[M+Na-2H]- 284.090416 224.6
[M]+ 263.11520142 251.8
[M]- 263.11629858 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