CID 200938

2948-77-8

Structural Information

Molecular Formula
C10H22N4
SMILES
CC1CCCN(CC1)CCN=C(N)N
InChI
InChI=1S/C10H22N4/c1-9-3-2-6-14(7-4-9)8-5-13-10(11)12/h9H,2-8H2,1H3,(H4,11,12,13)
InChIKey
KDIMDNGDUIGURW-UHFFFAOYSA-N
Compound name
2-[2-(4-methylazepan-1-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.18445 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.191726 145.1
[M+Na]+ 221.173668 146.4
[M-H]- 197.177174 147.9
[M+NH4]+ 216.218273 161.0
[M+K]+ 237.147608 150.1
[M+H-H2O]+ 181.181710 136.6
[M+HCOO]- 243.182651 165.4
[M+CH3COO]- 257.198301 195.7
[M+Na-2H]- 219.159116 147.1
[M]+ 198.18390142 135.4
[M]- 198.18499858 135.4
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.