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]+ 226.143766 148.3
[M+Na]+ 248.125708 152.0
[M-H]- 224.129214 153.2
[M+NH4]+ 243.170313 160.0
[M+K]+ 264.099648 149.7
[M+H-H2O]+ 208.133750 141.8
[M+HCOO]- 270.134691 165.8
[M+CH3COO]- 284.150341 191.7
[M+Na-2H]- 246.111156 149.3
[M]+ 225.13594142 145.1
[M]- 225.13703858 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