CID 38671

Nsc 125980

Structural Information

Molecular Formula
C4H11N3S
SMILES
C(CN=C(N)N)CS
InChI
InChI=1S/C4H11N3S/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)
InChIKey
ZDCHJYOJRXOAAO-UHFFFAOYSA-N
Compound name
2-(3-sulfanylpropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

133.06737 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07465 126.4
[M+Na]+ 156.05659 132.3
[M-H]- 132.06009 127.2
[M+NH4]+ 151.10119 147.9
[M+K]+ 172.03053 131.1
[M+H-H2O]+ 116.06463 120.2
[M+HCOO]- 178.06557 147.3
[M+CH3COO]- 192.08122 180.1
[M+Na-2H]- 154.04204 128.9
[M]+ 133.06682 124.8
[M]- 133.06792 124.8
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