CID 426505

2-amino-2-imino-1-methylethyl imidothiocarbamate

Structural Information

Molecular Formula
C4H10N4S
SMILES
CC(C(=N)N)SC(=N)N
InChI
InChI=1S/C4H10N4S/c1-2(3(5)6)9-4(7)8/h2H,1H3,(H3,5,6)(H3,7,8)
InChIKey
MZJFQRJOYYODOP-UHFFFAOYSA-N
Compound name
(1-amino-1-iminopropan-2-yl) carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.06262 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.06990 130.8
[M+Na]+ 169.05184 135.1
[M-H]- 145.05534 130.1
[M+NH4]+ 164.09644 150.2
[M+K]+ 185.02578 133.3
[M+H-H2O]+ 129.05988 124.3
[M+HCOO]- 191.06082 149.2
[M+CH3COO]- 205.07647 183.8
[M+Na-2H]- 167.03729 130.8
[M]+ 146.06207 124.4
[M]- 146.06317 124.4
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.