CID 42962772

N-[1-(3,5-dimethyl-1h-pyrazol-1-yl)propan-2-ylidene]hydroxylamine

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=CC(=NN1C/C(=N/O)/C)C
InChI
InChI=1S/C8H13N3O/c1-6-4-8(3)11(9-6)5-7(2)10-12/h4,12H,5H2,1-3H3/b10-7+
InChIKey
SMSZXJUIBZVLLN-JXMROGBWSA-N
Compound name
(NE)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 136.3
[M+Na]+ 190.09509 145.1
[M-H]- 166.09859 137.9
[M+NH4]+ 185.13969 156.2
[M+K]+ 206.06903 143.8
[M+H-H2O]+ 150.10313 129.3
[M+HCOO]- 212.10407 159.8
[M+CH3COO]- 226.11972 182.2
[M+Na-2H]- 188.08054 140.3
[M]+ 167.10532 137.6
[M]- 167.10642 137.6
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.