CID 216951

37915-00-7

Structural Information

Molecular Formula
C6H13N3S
SMILES
C1CSC(=N1)NCCCN
InChI
InChI=1S/C6H13N3S/c7-2-1-3-8-6-9-4-5-10-6/h1-5,7H2,(H,8,9)
InChIKey
DESZXNVKMQWOJF-UHFFFAOYSA-N
Compound name
N'-(4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08302 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09030 131.7
[M+Na]+ 182.07224 138.1
[M-H]- 158.07574 133.3
[M+NH4]+ 177.11684 152.7
[M+K]+ 198.04618 135.9
[M+H-H2O]+ 142.08028 124.9
[M+HCOO]- 204.08122 151.3
[M+CH3COO]- 218.09687 177.6
[M+Na-2H]- 180.05769 134.6
[M]+ 159.08247 130.0
[M]- 159.08357 130.0
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.