CID 56842384

84540-26-1

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC1(CC(CC(C1)(C)CNCCC(=O)O)N)C
InChI
InChI=1S/C13H26N2O2/c1-12(2)6-10(14)7-13(3,8-12)9-15-5-4-11(16)17/h10,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKey
RGKAWYALXRQNJW-UHFFFAOYSA-N
Compound name
3-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 157.8
[M+Na]+ 265.18865 164.4
[M+NH4]+ 260.23325 166.9
[M+K]+ 281.16259 156.4
[M-H]- 241.19215 158.7
[M+Na-2H]- 263.17410 162.7
[M]+ 242.19888 158.8
[M]- 242.19998 158.8
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

No patent data available for this compound.