CID 64256

Brn 2100916

Structural Information

Molecular Formula
C17H31NO2
SMILES
CC(C)NCC(COCC12CC3CC(C1)CC(C3)C2)O
InChI
InChI=1S/C17H31NO2/c1-12(2)18-9-16(19)10-20-11-17-6-13-3-14(7-17)5-15(4-13)8-17/h12-16,18-19H,3-11H2,1-2H3
InChIKey
HHDMTWMQSWWWQI-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.23547 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.24275 168.7
[M+Na]+ 304.22469 174.5
[M+NH4]+ 299.26929 179.9
[M+K]+ 320.19863 165.9
[M-H]- 280.22819 165.9
[M+Na-2H]- 302.21014 163.7
[M]+ 281.23492 168.6
[M]- 281.23602 168.6
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.