CID 3034776

Einecs 268-143-3

Structural Information

Molecular Formula
C10H15N5
SMILES
CC1=C(C(=CC=C1)N(C(=N)N)C(=N)N)C
InChI
InChI=1S/C10H15N5/c1-6-4-3-5-8(7(6)2)15(9(11)12)10(13)14/h3-5H,1-2H3,(H3,11,12)(H3,13,14)
InChIKey
MKBUFYMAJHFTJK-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-1-(2,3-dimethylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.13275 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.14003 149.0
[M+Na]+ 228.12197 156.0
[M+NH4]+ 223.16657 155.4
[M+K]+ 244.09591 152.4
[M-H]- 204.12547 152.5
[M+Na-2H]- 226.10742 153.4
[M]+ 205.13220 150.3
[M]- 205.13330 150.3
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.