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
2
Annotation Hits

0
References

1
Patents

205.13275 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.140026 148.4
[M+Na]+ 228.121968 153.5
[M-H]- 204.125474 153.0
[M+NH4]+ 223.166573 166.1
[M+K]+ 244.095908 152.1
[M+H-H2O]+ 188.130010 141.0
[M+HCOO]- 250.130951 175.2
[M+CH3COO]- 264.146601 203.1
[M+Na-2H]- 226.107416 150.5
[M]+ 205.13220142 142.1
[M]- 205.13329858 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