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
2
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]+ 243.206706 157.4
[M+Na]+ 265.188648 161.7
[M-H]- 241.192154 158.5
[M+NH4]+ 260.233253 177.5
[M+K]+ 281.162588 159.8
[M+H-H2O]+ 225.196690 153.2
[M+HCOO]- 287.197631 175.7
[M+CH3COO]- 301.213281 197.1
[M+Na-2H]- 263.174096 159.7
[M]+ 242.19888142 153.2
[M]- 242.19997858 153.2
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

No patent data available for this compound.