CID 3053407

69915-63-5

Structural Information

Molecular Formula
C16H29NO3
SMILES
CC(C)CCCC1CCC(CC1)(C)C(=O)NCC(=O)O
InChI
InChI=1S/C16H29NO3/c1-12(2)5-4-6-13-7-9-16(3,10-8-13)15(20)17-11-14(18)19/h12-13H,4-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
LLAASQKFSUNJPU-UHFFFAOYSA-N
Compound name
2-[[1-methyl-4-(4-methylpentyl)cyclohexanecarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.21475 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.22203 171.5
[M+Na]+ 306.20397 177.5
[M+NH4]+ 301.24857 178.2
[M+K]+ 322.17791 171.5
[M-H]- 282.20747 171.0
[M+Na-2H]- 304.18942 173.5
[M]+ 283.21420 171.8
[M]- 283.21530 171.8
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