CID 209613

3-(2-bornyloxy)-3-(isopropylamino)-2-propanol hydrochloride

Structural Information

Molecular Formula
C16H31NO2
SMILES
CC(C)NCC(COC1CC2CCC1(C2(C)C)C)O
InChI
InChI=1S/C16H31NO2/c1-11(2)17-9-13(18)10-19-14-8-12-6-7-16(14,5)15(12,3)4/h11-14,17-18H,6-10H2,1-5H3
InChIKey
MWWCDBJWUWLZES-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

269.23547 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.24275 169.5
[M+Na]+ 292.22469 174.2
[M-H]- 268.22819 170.4
[M+NH4]+ 287.26929 194.2
[M+K]+ 308.19863 171.7
[M+H-H2O]+ 252.23273 166.5
[M+HCOO]- 314.23367 186.1
[M+CH3COO]- 328.24932 202.0
[M+Na-2H]- 290.21014 169.4
[M]+ 269.23492 170.1
[M]- 269.23602 170.1
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