CID 200847

(2-(1,8,8-trimethyl-3-azabicyclo(3.2.1)oct-3-yl)ethyl)guanidine sulfate

Structural Information

Molecular Formula
C13H26N4
SMILES
CC1(C2CCC1(CN(C2)CCN=C(N)N)C)C
InChI
InChI=1S/C13H26N4/c1-12(2)10-4-5-13(12,3)9-17(8-10)7-6-16-11(14)15/h10H,4-9H2,1-3H3,(H4,14,15,16)
InChIKey
MKGVSSBQMQPWPG-UHFFFAOYSA-N
Compound name
2-[2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.21574 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.22302 156.7
[M+Na]+ 261.20496 162.4
[M+NH4]+ 256.24956 167.1
[M+K]+ 277.17890 155.3
[M-H]- 237.20846 158.0
[M+Na-2H]- 259.19041 160.0
[M]+ 238.21519 157.6
[M]- 238.21629 157.6
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.