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]+ 266.222696 160.2
[M+Na]+ 288.204638 159.0
[M-H]- 264.208144 155.2
[M+NH4]+ 283.249243 181.3
[M+K]+ 304.178578 157.1
[M+H-H2O]+ 248.212680 153.9
[M+HCOO]- 310.213621 169.7
[M+CH3COO]- 324.229271 167.2
[M+Na-2H]- 286.190086 168.9
[M]+ 265.21487142 159.5
[M]- 265.21596858 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.