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

12
Patents

206.12799 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13527 146.2
[M+Na]+ 229.11721 152.1
[M-H]- 205.12071 145.7
[M+NH4]+ 224.16181 160.8
[M+K]+ 245.09115 150.3
[M+H-H2O]+ 189.12525 130.1
[M+HCOO]- 251.12619 166.7
[M+CH3COO]- 265.14184 202.2
[M+Na-2H]- 227.10266 151.3
[M]+ 206.12744 138.6
[M]- 206.12854 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

literature stripe

Patent stripe

patents stripe