CID 71758517

1443980-66-2

Structural Information

Molecular Formula
C11H21N3O2
SMILES
CC1CCC2(CC1)OCC(O2)CN=C(N)N
InChI
InChI=1S/C11H21N3O2/c1-8-2-4-11(5-3-8)15-7-9(16-11)6-14-10(12)13/h8-9H,2-7H2,1H3,(H4,12,13,14)
InChIKey
UEIJHBNTYJMNCW-UHFFFAOYSA-N
Compound name
2-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.16338 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17066 153.2
[M+Na]+ 250.15260 156.4
[M-H]- 226.15610 159.4
[M+NH4]+ 245.19720 171.6
[M+K]+ 266.12654 157.1
[M+H-H2O]+ 210.16064 146.9
[M+HCOO]- 272.16158 172.9
[M+CH3COO]- 286.17723 195.8
[M+Na-2H]- 248.13805 156.7
[M]+ 227.16283 146.7
[M]- 227.16393 146.7
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.