CID 385146

Nsc676162

Structural Information

Molecular Formula
C8H15ClN4O
SMILES
C1CCN=C(NC1)NNC(=O)CCCl
InChI
InChI=1S/C8H15ClN4O/c9-4-3-7(14)12-13-8-10-5-1-2-6-11-8/h1-6H2,(H,12,14)(H2,10,11,13)
InChIKey
ANPJOLWGQAYEKT-UHFFFAOYSA-N
Compound name
3-chloro-N'-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.09344 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10072 145.4
[M+Na]+ 241.08266 149.1
[M-H]- 217.08616 145.2
[M+NH4]+ 236.12726 159.5
[M+K]+ 257.05660 150.5
[M+H-H2O]+ 201.09070 136.4
[M+HCOO]- 263.09164 159.9
[M+CH3COO]- 277.10729 187.1
[M+Na-2H]- 239.06811 150.4
[M]+ 218.09289 138.4
[M]- 218.09399 138.4
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.