CID 32850

25234-62-2

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1=CC=C(C=C1)C(CN=C(N)N)O
InChI
InChI=1S/C9H13N3O/c10-9(11)12-6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H4,10,11,12)
InChIKey
ILXQCMPIHOQKNL-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-2-phenylethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

179.10587 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 139.2
[M+Na]+ 202.095088 143.9
[M-H]- 178.098594 141.7
[M+NH4]+ 197.139693 157.4
[M+K]+ 218.069028 142.1
[M+H-H2O]+ 162.103130 132.3
[M+HCOO]- 224.104071 164.0
[M+CH3COO]- 238.119721 187.2
[M+Na-2H]- 200.080536 143.6
[M]+ 179.10532142 134.2
[M]- 179.10641858 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe