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]+ 228.170656 153.2
[M+Na]+ 250.152598 156.4
[M-H]- 226.156104 159.4
[M+NH4]+ 245.197203 171.6
[M+K]+ 266.126538 157.1
[M+H-H2O]+ 210.160640 146.9
[M+HCOO]- 272.161581 172.9
[M+CH3COO]- 286.177231 195.8
[M+Na-2H]- 248.138046 156.7
[M]+ 227.16283142 146.7
[M]- 227.16392858 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.