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 172.9
[M+Na]+ 304.22469 171.1
[M-H]- 280.22819 165.4
[M+NH4]+ 299.26929 194.4
[M+K]+ 320.19863 168.3
[M+H-H2O]+ 264.23273 166.8
[M+HCOO]- 326.23367 176.1
[M+CH3COO]- 340.24932 210.3
[M+Na-2H]- 302.21014 179.6
[M]+ 281.23492 172.9
[M]- 281.23602 172.9
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