CID 385142

Nsc676160

Structural Information

Molecular Formula
C6H11ClN4O
SMILES
C1CN=C(N1)NNC(=O)CCCl
InChI
InChI=1S/C6H11ClN4O/c7-2-1-5(12)10-11-6-8-3-4-9-6/h1-4H2,(H,10,12)(H2,8,9,11)
InChIKey
KIPZHINDKFZDKZ-UHFFFAOYSA-N
Compound name
3-chloro-N'-(4,5-dihydro-1H-imidazol-2-yl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06213 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06941 140.3
[M+Na]+ 213.05135 146.4
[M-H]- 189.05485 139.4
[M+NH4]+ 208.09595 158.3
[M+K]+ 229.02529 143.1
[M+H-H2O]+ 173.05939 133.1
[M+HCOO]- 235.06033 157.8
[M+CH3COO]- 249.07598 179.1
[M+Na-2H]- 211.03680 145.1
[M]+ 190.06158 137.5
[M]- 190.06268 137.5
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.