CID 49608

Brn 2643210

Structural Information

Molecular Formula
C11H24N4
SMILES
CN(CCN=C(N)N)C1CCCCCC1
InChI
InChI=1S/C11H24N4/c1-15(9-8-14-11(12)13)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3,(H4,12,13,14)
InChIKey
BEKGDTDKGGSAPE-UHFFFAOYSA-N
Compound name
2-[2-[cycloheptyl(methyl)amino]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.2001 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.207376 149.0
[M+Na]+ 235.189318 148.2
[M-H]- 211.192824 154.0
[M+NH4]+ 230.233923 165.5
[M+K]+ 251.163258 153.4
[M+H-H2O]+ 195.197360 140.9
[M+HCOO]- 257.198301 171.6
[M+CH3COO]- 271.213951 203.0
[M+Na-2H]- 233.174766 150.6
[M]+ 212.19955142 139.3
[M]- 212.20064858 139.3
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.