CID 61013571

2-cyclohexyl-2-(cyclopropylformamido)acetic acid

Structural Information

Molecular Formula
C12H19NO3
SMILES
C1CCC(CC1)C(C(=O)O)NC(=O)C2CC2
InChI
InChI=1S/C12H19NO3/c14-11(9-6-7-9)13-10(12(15)16)8-4-2-1-3-5-8/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKey
FLDMSZOFMPYGOT-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-(cyclopropanecarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

225.13649 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 148.3
[M+Na]+ 248.12571 152.0
[M-H]- 224.12921 153.2
[M+NH4]+ 243.17031 160.0
[M+K]+ 264.09965 149.7
[M+H-H2O]+ 208.13375 141.8
[M+HCOO]- 270.13469 165.8
[M+CH3COO]- 284.15034 191.7
[M+Na-2H]- 246.11116 149.3
[M]+ 225.13594 145.1
[M]- 225.13704 145.1
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