CID 121828815

N''-[(adamantan-2-yl)methyl]-n-(2-methoxyethyl)guanidine; trifluoroacetic acid

Structural Information

Molecular Formula
C15H27N3O
SMILES
COCCNC(=NCC1C2CC3CC(C2)CC1C3)N
InChI
InChI=1S/C15H27N3O/c1-19-3-2-17-15(16)18-9-14-12-5-10-4-11(7-12)8-13(14)6-10/h10-14H,2-9H2,1H3,(H3,16,17,18)
InChIKey
WVSFFNKWAKAVRL-UHFFFAOYSA-N
Compound name
2-(2-adamantylmethyl)-1-(2-methoxyethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.21542 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.22270 160.2
[M+Na]+ 288.20464 159.0
[M-H]- 264.20814 155.2
[M+NH4]+ 283.24924 181.3
[M+K]+ 304.17858 157.1
[M+H-H2O]+ 248.21268 153.9
[M+HCOO]- 310.21362 169.7
[M+CH3COO]- 324.22927 167.2
[M+Na-2H]- 286.19009 168.9
[M]+ 265.21487 159.5
[M]- 265.21597 159.5
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.