CID 972244

(2r)-2-(cyclohexylformamido)-3-methylbutanoicacid

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)[C@H](C(=O)O)NC(=O)C1CCCCC1
InChI
InChI=1S/C12H21NO3/c1-8(2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t10-/m1/s1
InChIKey
XYLGNAIAXWHHNJ-SNVBAGLBSA-N
Compound name
(2R)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

227.15215 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 155.2
[M+Na]+ 250.14137 156.4
[M-H]- 226.14487 155.8
[M+NH4]+ 245.18597 171.4
[M+K]+ 266.11531 155.9
[M+H-H2O]+ 210.14941 149.0
[M+HCOO]- 272.15035 170.9
[M+CH3COO]- 286.16600 191.2
[M+Na-2H]- 248.12682 153.6
[M]+ 227.15160 149.5
[M]- 227.15270 149.5
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.