CID 12253691

1-(5-chloro-2-methylphenyl)guanidine

Structural Information

Molecular Formula
C8H10ClN3
SMILES
CC1=C(C=C(C=C1)Cl)N=C(N)N
InChI
InChI=1S/C8H10ClN3/c1-5-2-3-6(9)4-7(5)12-8(10)11/h2-4H,1H3,(H4,10,11,12)
InChIKey
RCVCEAWHDUGLQN-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

183.05632 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.063596 139.1
[M+Na]+ 206.045538 147.6
[M-H]- 182.049044 143.6
[M+NH4]+ 201.090143 159.5
[M+K]+ 222.019478 143.8
[M+H-H2O]+ 166.053580 133.7
[M+HCOO]- 228.054521 161.9
[M+CH3COO]- 242.070171 189.8
[M+Na-2H]- 204.030986 143.6
[M]+ 183.05577142 137.6
[M]- 183.05686858 137.6
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