CID 3017677

Einecs 266-371-8

Structural Information

Molecular Formula
C12H26N2O
SMILES
CC1(CC(CC(C1)(C)CNCCO)N)C
InChI
InChI=1S/C12H26N2O/c1-11(2)6-10(13)7-12(3,8-11)9-14-4-5-15/h10,14-15H,4-9,13H2,1-3H3
InChIKey
QWLUUZCNBWLTQM-UHFFFAOYSA-N
Compound name
2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.20451 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.211786 151.0
[M+Na]+ 237.193728 155.7
[M-H]- 213.197234 152.2
[M+NH4]+ 232.238333 172.4
[M+K]+ 253.167668 153.5
[M+H-H2O]+ 197.201770 146.8
[M+HCOO]- 259.202711 170.2
[M+CH3COO]- 273.218361 191.8
[M+Na-2H]- 235.179176 154.8
[M]+ 214.20396142 146.2
[M]- 214.20505858 146.2
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

patents stripe