CID 3051340

67427-59-2

Structural Information

Molecular Formula
C10H16N4O
SMILES
C1=CC=C(C=C1)NCC(CN=C(N)N)O
InChI
InChI=1S/C10H16N4O/c11-10(12)14-7-9(15)6-13-8-4-2-1-3-5-8/h1-5,9,13,15H,6-7H2,(H4,11,12,14)
InChIKey
JRJZBOJPMHNJQD-UHFFFAOYSA-N
Compound name
2-(3-anilino-2-hydroxypropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 146.1
[M+Na]+ 231.12164 149.4
[M-H]- 207.12514 148.3
[M+NH4]+ 226.16624 162.7
[M+K]+ 247.09558 147.5
[M+H-H2O]+ 191.12968 138.4
[M+HCOO]- 253.13062 171.5
[M+CH3COO]- 267.14627 195.7
[M+Na-2H]- 229.10709 150.4
[M]+ 208.13187 140.6
[M]- 208.13297 140.6
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

No patent data available for this compound.