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 155.8
[M+Na]+ 261.20496 161.0
[M-H]- 237.20846 157.1
[M+NH4]+ 256.24956 179.0
[M+K]+ 277.17890 158.6
[M+H-H2O]+ 221.21300 150.2
[M+HCOO]- 283.21394 174.8
[M+CH3COO]- 297.22959 203.1
[M+Na-2H]- 259.19041 159.3
[M]+ 238.21519 151.2
[M]- 238.21629 151.2
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.