CID 109895251

N'-[(adamantan-2-yl)methyl]morpholine-4-carboximidamide hydrobromide

Structural Information

Molecular Formula
C16H27N3O
SMILES
C1COCCN1C(=NCC2C3CC4CC(C3)CC2C4)N
InChI
InChI=1S/C16H27N3O/c17-16(19-1-3-20-4-2-19)18-10-15-13-6-11-5-12(8-13)9-14(15)7-11/h11-15H,1-10H2,(H2,17,18)
InChIKey
XUIFMLIMGISPBC-UHFFFAOYSA-N
Compound name
N'-(2-adamantylmethyl)morpholine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.21542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.22270 158.7
[M+Na]+ 300.20464 156.3
[M-H]- 276.20814 155.3
[M+NH4]+ 295.24924 176.3
[M+K]+ 316.17858 154.6
[M+H-H2O]+ 260.21268 149.8
[M+HCOO]- 322.21362 162.1
[M+CH3COO]- 336.22927 164.6
[M+Na-2H]- 298.19009 166.2
[M]+ 277.21487 153.4
[M]- 277.21597 153.4
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.