CID 83440

N-(2-hydroxyethyl)-n-methylguanidine

Structural Information

Molecular Formula
C4H11N3O
SMILES
CN(CCO)C(=N)N
InChI
InChI=1S/C4H11N3O/c1-7(2-3-8)4(5)6/h8H,2-3H2,1H3,(H3,5,6)
InChIKey
ORTUDDOFSUHQKZ-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-1-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

117.09021 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.097486 124.9
[M+Na]+ 140.079428 130.2
[M-H]- 116.082934 125.0
[M+NH4]+ 135.124033 146.1
[M+K]+ 156.053368 130.8
[M+H-H2O]+ 100.087470 119.3
[M+HCOO]- 162.088411 150.1
[M+CH3COO]- 176.104061 177.3
[M+Na-2H]- 138.064876 129.8
[M]+ 117.08966142 121.2
[M]- 117.09075858 121.2
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