CID 17975425

1-[4-(hydroxymethyl)phenyl]guanidine

Structural Information

Molecular Formula
C8H11N3O
SMILES
C1=CC(=CC=C1CO)N=C(N)N
InChI
InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2,(H4,9,10,11)
InChIKey
JAFHTIHHRCEJDS-UHFFFAOYSA-N
Compound name
2-[4-(hydroxymethyl)phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

165.09021 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.09749 134.0
[M+Na]+ 188.07943 140.3
[M-H]- 164.08293 137.0
[M+NH4]+ 183.12403 153.2
[M+K]+ 204.05337 138.2
[M+H-H2O]+ 148.08747 127.5
[M+HCOO]- 210.08841 160.1
[M+CH3COO]- 224.10406 184.5
[M+Na-2H]- 186.06488 139.5
[M]+ 165.08966 129.6
[M]- 165.09076 129.6
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