CID 49845

Dl-1-(2-hydroxy-3-(o-toluidino)propyl)guanidine hemisulfate

Structural Information

Molecular Formula
C11H18N4O
SMILES
CC1=CC=CC=C1NCC(CN=C(N)N)O
InChI
InChI=1S/C11H18N4O/c1-8-4-2-3-5-10(8)14-6-9(16)7-15-11(12)13/h2-5,9,14,16H,6-7H2,1H3,(H4,12,13,15)
InChIKey
ABGDAXVYOBKGRB-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(2-methylanilino)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.14806 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 151.4
[M+Na]+ 245.13728 155.2
[M-H]- 221.14078 153.8
[M+NH4]+ 240.18188 167.7
[M+K]+ 261.11122 153.2
[M+H-H2O]+ 205.14532 143.8
[M+HCOO]- 267.14626 176.4
[M+CH3COO]- 281.16191 199.9
[M+Na-2H]- 243.12273 154.3
[M]+ 222.14751 146.7
[M]- 222.14861 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

No patent data available for this compound.