CID 10058807

Improgan

Structural Information

Molecular Formula
C9H14N6
SMILES
CN=C(NCCCC1=CN=CN1)NC#N
InChI
InChI=1S/C9H14N6/c1-11-9(14-6-10)13-4-2-3-8-5-12-7-15-8/h5,7H,2-4H2,1H3,(H,12,15)(H2,11,13,14)
InChIKey
CXTGREPICTYOGB-UHFFFAOYSA-N
Compound name
1-cyano-3-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

13
Patents

206.12799 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.135266 146.2
[M+Na]+ 229.117208 152.1
[M-H]- 205.120714 145.7
[M+NH4]+ 224.161813 160.8
[M+K]+ 245.091148 150.3
[M+H-H2O]+ 189.125250 130.1
[M+HCOO]- 251.126191 166.7
[M+CH3COO]- 265.141841 202.2
[M+Na-2H]- 227.102656 151.3
[M]+ 206.12744142 138.6
[M]- 206.12853858 138.6
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.