CID 43352

Brn 0480903

Structural Information

Molecular Formula
C11H13N5
SMILES
CC(=C)CN=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C11H13N5/c1-9(2)6-14-11(15-8-12)16-10-4-3-5-13-7-10/h3-5,7H,1,6H2,2H3,(H2,14,15,16)
InChIKey
NJBMWPWDGBWPJO-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-methylprop-2-enyl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

215.1171 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.124376 153.6
[M+Na]+ 238.106318 159.8
[M-H]- 214.109824 155.7
[M+NH4]+ 233.150923 168.1
[M+K]+ 254.080258 157.5
[M+H-H2O]+ 198.114360 138.5
[M+HCOO]- 260.115301 174.7
[M+CH3COO]- 274.130951 207.3
[M+Na-2H]- 236.091766 158.6
[M]+ 215.11655142 146.1
[M]- 215.11764858 146.1
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