CID 3033999

(hydroxymethyl)thiourea

Structural Information

Molecular Formula
C2H6N2OS
SMILES
C(NC(=S)N)O
InChI
InChI=1S/C2H6N2OS/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)
InChIKey
CALBDOUFMLLGQH-UHFFFAOYSA-N
Compound name
hydroxymethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

106.02008 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02736 118.0
[M+Na]+ 129.00930 124.7
[M-H]- 105.01280 116.9
[M+NH4]+ 124.05390 139.7
[M+K]+ 144.98324 123.0
[M+H-H2O]+ 89.017340 113.1
[M+HCOO]- 151.01828 136.6
[M+CH3COO]- 165.03393 166.6
[M+Na-2H]- 126.99475 121.3
[M]+ 106.01953 115.1
[M]- 106.02063 115.1
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