CID 11062553

Hypotaurocyamine zwitterion

Structural Information

Molecular Formula
C3H9N3O2S
SMILES
C(CS(=O)O)N=C(N)N
InChI
InChI=1S/C3H9N3O2S/c4-3(5)6-1-2-9(7)8/h1-2H2,(H,7,8)(H4,4,5,6)
InChIKey
KYRKWKDNGQIWHP-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)ethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

151.04155 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04883 128.5
[M+Na]+ 174.03077 134.1
[M-H]- 150.03427 127.8
[M+NH4]+ 169.07537 148.1
[M+K]+ 190.00471 132.8
[M+H-H2O]+ 134.03881 122.2
[M+HCOO]- 196.03975 147.8
[M+CH3COO]- 210.05540 178.9
[M+Na-2H]- 172.01622 130.0
[M]+ 151.04100 126.0
[M]- 151.04210 126.0
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