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

3
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 152.2
[M+Na]+ 248.12571 160.5
[M+NH4]+ 243.17031 159.4
[M+K]+ 264.09965 158.3
[M-H]- 224.12921 160.3
[M+Na-2H]- 246.11116 157.8
[M]+ 225.13594 156.2
[M]- 225.13704 156.2
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