CID 3042129

Cis-(2-(octahydro-2h-isoindol-2-yl)ethyl)guanidine

Structural Information

Molecular Formula
C11H22N4
SMILES
C1CC[C@H]2CN(C[C@H]2C1)CCN=C(N)N
InChI
InChI=1S/C11H22N4/c12-11(13)14-5-6-15-7-9-3-1-2-4-10(9)8-15/h9-10H,1-8H2,(H4,12,13,14)/t9-,10+
InChIKey
FZGIPLWPOPLORZ-AOOOYVTPSA-N
Compound name
2-[2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.18445 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.19173 148.5
[M+Na]+ 233.17367 151.1
[M-H]- 209.17717 150.5
[M+NH4]+ 228.21827 167.7
[M+K]+ 249.14761 149.0
[M+H-H2O]+ 193.18171 140.8
[M+HCOO]- 255.18265 168.5
[M+CH3COO]- 269.19830 195.5
[M+Na-2H]- 231.15912 150.3
[M]+ 210.18390 140.1
[M]- 210.18500 140.1
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.