CID 39452

46398-60-1

Structural Information

Molecular Formula
C11H17N3O
SMILES
CC1=C(C(=CC=C1)C)OCCN=C(N)N
InChI
InChI=1S/C11H17N3O/c1-8-4-3-5-9(2)10(8)15-7-6-14-11(12)13/h3-5H,6-7H2,1-2H3,(H4,12,13,14)
InChIKey
CKEYBAHJDLWWBQ-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.13716 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.144436 147.8
[M+Na]+ 230.126378 154.1
[M-H]- 206.129884 152.0
[M+NH4]+ 225.170983 166.3
[M+K]+ 246.100318 152.3
[M+H-H2O]+ 190.134420 140.6
[M+HCOO]- 252.135361 174.3
[M+CH3COO]- 266.151011 197.3
[M+Na-2H]- 228.111826 151.4
[M]+ 207.13661142 146.7
[M]- 207.13770858 146.7
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