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 148.4
[M+Na]+ 228.12197 153.5
[M-H]- 204.12547 153.0
[M+NH4]+ 223.16657 166.1
[M+K]+ 244.09591 152.1
[M+H-H2O]+ 188.13001 141.0
[M+HCOO]- 250.13095 175.2
[M+CH3COO]- 264.14660 203.1
[M+Na-2H]- 226.10742 150.5
[M]+ 205.13220 142.1
[M]- 205.13330 142.1
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

patents stripe