CID 25324634

60462-23-9

Structural Information

Molecular Formula
C9H9NO2
SMILES
C12C3C4C1(C5C2C3(C45)N)C(=O)O
InChI
InChI=1S/C9H9NO2/c10-9-4-1-5(9)3-6(9)2(4)8(1,3)7(11)12/h1-6H,10H2,(H,11,12)
InChIKey
RTGXOQKYGPHXMH-UHFFFAOYSA-N
Compound name
4-aminocubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.06332 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 213.2
[M+Na]+ 186.05254 213.1
[M-H]- 162.05604 216.6
[M+NH4]+ 181.09714 209.0
[M+K]+ 202.02648 217.3
[M+H-H2O]+ 146.06058 200.9
[M+HCOO]- 208.06152 214.4
[M+CH3COO]- 222.07717 259.4
[M+Na-2H]- 184.03799 206.9
[M]+ 163.06277 231.9
[M]- 163.06387 231.9
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.