CID 36010

2-propylamine, 1-(1-adamantyl)-n-(2-hydroxyethyl)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H29NO
SMILES
CC(CC12CC3CC(C1)CC(C3)C2)N(C)CCO
InChI
InChI=1S/C16H29NO/c1-12(17(2)3-4-18)8-16-9-13-5-14(10-16)7-15(6-13)11-16/h12-15,18H,3-11H2,1-2H3
InChIKey
SPACSDUMWWUKJJ-UHFFFAOYSA-N
Compound name
2-[1-(1-adamantyl)propan-2-yl-methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.22491 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.23219 165.8
[M+Na]+ 274.21413 164.8
[M-H]- 250.21763 160.0
[M+NH4]+ 269.25873 189.2
[M+K]+ 290.18807 162.4
[M+H-H2O]+ 234.22217 159.4
[M+HCOO]- 296.22311 170.7
[M+CH3COO]- 310.23876 172.4
[M+Na-2H]- 272.19958 172.9
[M]+ 251.22436 165.6
[M]- 251.22546 165.6
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.