CID 3025276

102402-46-0

Structural Information

Molecular Formula
C7H14NO5P
SMILES
C1CCC(C(C1)C(=O)O)(N)P(=O)(O)O
InChI
InChI=1S/C7H14NO5P/c8-7(14(11,12)13)4-2-1-3-5(7)6(9)10/h5H,1-4,8H2,(H,9,10)(H2,11,12,13)
InChIKey
XGOLWEOIUIGXPS-UHFFFAOYSA-N
Compound name
2-amino-2-phosphonocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.06096 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06824 147.6
[M+Na]+ 246.05018 152.3
[M-H]- 222.05368 145.0
[M+NH4]+ 241.09478 165.3
[M+K]+ 262.02412 151.1
[M+H-H2O]+ 206.05822 141.7
[M+HCOO]- 268.05916 168.2
[M+CH3COO]- 282.07481 181.2
[M+Na-2H]- 244.03563 148.9
[M]+ 223.06041 142.0
[M]- 223.06151 142.0
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.